22 27 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 4 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 14 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 18 1 0 22 5 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004135 > FLUKA > 12740 > SIGMA > B6511 > - > - > 16260571 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001240 > ALDRICH > 331481 > FLUKA > 10590 > - > - > 16260571 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001240 > ALDRICH > A89200 > FLUKA > 10590 > - > - > 16260571 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001240 > ALDRICH > 694959 > FLUKA > 10590 > - > - > 16260571 $$$$ 12 14 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4395 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3855 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 11 12 1 0 10 12 1 0 6 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003807 > ALDRICH > 215376 > FLUKA > 00018 > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 1 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 2 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003054 > FLUKA > 14410 > - > - > - > - > 16260571 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 -1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 -1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 -3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7693 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 -3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7692 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4645 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4647 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7693 -4.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2341 -1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7692 -4.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2341 -1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4645 3.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4647 3.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2341 -3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2341 -3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 2 0 0 0 0 7 13 1 0 0 0 0 8 14 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 11 17 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 16 19 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004763 > ALDRICH > 101303 > FLUKA > 93050 > - > - > 16260571 $$$$ 12 14 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4395 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3855 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 11 12 1 0 10 12 1 0 6 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003807 > ALDRICH > A104 > FLUKA > 00018 > - > - > 16260571 $$$$ 16 19 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 1 1 0 2 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 2 1 0 7 13 1 0 13 14 2 0 14 8 1 0 12 15 1 0 15 16 2 0 16 3 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004136 > ALDRICH > 571245 > FLUKA > 82652 > - > - > 16260571 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 1 8 1 0 0 0 5 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008527 > ALDRICH > T73601 > FLUKA > 82542 > SIGMA > P3394 > 16260571 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 1 1 0 2 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 2 0 12 13 1 0 13 14 2 0 14 3 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001168 > FLUKA > 77472 > - > - > - > - > 16260571 $$$$ 20 24 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 6 1 0 4 11 2 0 11 12 1 0 12 13 2 0 13 7 1 0 2 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 3 1 0 1 18 2 0 18 19 1 0 19 20 2 0 20 14 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004142 > FLUKA > 77340 > - > - > - > - > 16260571 $$$$ 16 19 0 0 0 0 0 0 0 0 1 V2000 -2.0019 0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0019 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 -0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 0.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2116 -0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 0.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2116 0.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5472 -1.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3677 -1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8526 -0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -0.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0019 0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 1.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8459 1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 5 1 0 7 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 9 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001184 > ALDRICH > 423947 > FLUKA > 46530 > - > - > 16260571 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.3553 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3524 -0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3638 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0543 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0456 -0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3437 0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0543 0.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -1.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 1.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 5 1 0 1 5 1 0 4 6 1 0 3 7 1 0 3 6 1 0 1 8 1 0 9 6 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00019385 > ALDRICH > 677345 > - > - > - > - > 16260571 $$$$ 16 19 0 0 0 0 0 0 0 0 1 V2000 -2.0019 0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0019 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 -0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 0.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2116 -0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 0.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2116 0.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5472 -1.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3677 -1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8526 -0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -0.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0019 0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 1.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8459 1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 5 1 0 7 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 9 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001184 > ALDRICH > F807 > FLUKA > 46530 > - > - > 16260571 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -0.7527 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1077 -1.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6967 -0.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0546 -0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6967 0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1077 0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5373 0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0222 -0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5373 -0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2906 -1.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7913 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9089 1.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0222 1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 1 1 0 1 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 6 11 1 0 3 12 1 0 8 13 1 0 11 14 1 0 11 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003811 > ALDRICH > G11004 > FLUKA > 50890 > - > - > 16260571 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.4238 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001742 > ALDRICH > 184500 > FLUKA > 70211 > RIEDEL > 15801 > 16260571 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.4238 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001742 > ALDRICH > 185604 > FLUKA > 70211 > RIEDEL > 15801 > 16260571 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.4238 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001742 > ALDRICH > 147141 > FLUKA > 70211 > RIEDEL > 15801 > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.7234 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7234 0.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 -0.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 0.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 -1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6547 -1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4139 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1243 0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 2 0 3 5 1 0 5 6 2 0 1 7 1 0 5 8 1 0 7 9 1 0 8 10 1 0 4 6 1 0 4 11 1 0 11 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009261 > ALDRICH > 132071 > FLUKA > 90367 > - > - > 16260571 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.6934 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4181 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0114 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6934 1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6934 -1.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4181 -1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0114 -1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 1.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 1 3 1 0 1 4 1 0 5 7 1 0 2 6 1 0 3 7 2 0 3 8 1 0 8 9 1 0 5 6 2 0 4 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009258 > ALDRICH > 32008 > FLUKA > 32009 > - > - > 16260571 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4277 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 6 1 0 0 0 7 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009463 > ALDRICH > B90203 > FLUKA > 19610 > - > - > 16260571 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -1.2780 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6905 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5155 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5155 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6905 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0405 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7845 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7845 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0405 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2135 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2135 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 1 1 0 0 0 2 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 2 1 0 0 0 13 11 1 0 0 0 14 13 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863105 > ALDRICH > 78174 > - > - > - > - > 16260571 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 5.1123 -3.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8286 -2.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8286 -2.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1098 -1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3962 -2.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3977 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 -4.1085 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9375 -4.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 -4.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2846 -4.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1098 -0.8068 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2862 -0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1098 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 -0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 G 7 1 t-Bu G 11 4 t-Bu M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 7 8 9 10 M SBL 1 1 11 M SDI 1 4 4.9000 -3.8300 5.3100 -3.8300 M SMT 1 t-Bu M SBV 1 11 0.0000 0.8200 M SAL 2 4 11 12 13 14 M SBL 2 1 1 M SDI 2 4 5.3100 -1.0700 4.9000 -1.0700 M SMT 2 t-Bu M SBV 2 1 0.0000 -0.8200 M SDS EXP 2 1 2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008836 > ALDRICH > 113352 > FLUKA > 34627 > - > - > 16260571 $$$$ 12 14 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4395 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3855 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 11 12 2 0 10 12 1 0 6 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003806 > ALDRICH > 416703 > FLUKA > 00058 > - > - > 16260571 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4830 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008816 > ALDRICH > B90602 > FLUKA > 19650 > - > - > 16260571 $$$$ 12 14 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4395 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3855 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 11 12 2 0 10 12 1 0 6 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003806 > ALDRICH > A805 > FLUKA > 00058 > - > - > 16260571 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009377 > ALDRICH > P52407 > FLUKA > 82120 > - > - > 16260571 $$$$ 18 21 0 0 0 0 0 0 0 0 1 V2000 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 4 1 0 1 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 2 1 0 5 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 6 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001108 > ALDRICH > T82600 > FLUKA > 93020 > - > - > 16260571 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 8 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008936 > ALDRICH > 113166 > FLUKA > 58500 > - > - > 16260571 $$$$ 20 24 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 3 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 4 1 0 5 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 6 1 0 10 15 1 0 15 16 2 0 16 11 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 16 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003605 > ALDRICH > B10102 > FLUKA > 12785 > - > - > 16260571 $$$$ 24 30 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 6 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 8 1 0 11 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 12 1 0 15 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 16 1 0 19 4 1 0 3 23 1 0 23 24 2 0 24 20 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004134 > ALDRICH > C84801 > FLUKA > 27830 > - > - > 16260571 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.6934 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4181 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0114 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6934 1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6934 -1.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4181 -1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0114 -1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 1.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 1 3 1 0 1 4 1 0 5 7 1 0 2 6 1 0 3 7 2 0 3 8 1 0 8 9 1 0 5 6 2 0 4 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009258 > ALDRICH > D90601 > FLUKA > 32009 > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.7234 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7234 0.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 -0.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 0.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 -1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6547 -1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4139 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1243 0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 2 0 3 5 1 0 5 6 2 0 1 7 1 0 5 8 1 0 7 9 1 0 8 10 1 0 4 6 1 0 4 11 1 0 11 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009261 > ALDRICH > 253863 > FLUKA > 90367 > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.0101 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 2.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -2.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 2 0 3 5 1 0 5 6 2 0 1 7 1 0 2 8 1 0 5 9 1 0 7 10 1 0 8 11 1 0 9 12 1 0 4 6 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00042889 > ALDRICH > 358762 > FLUKA > 90365 > - > - > 16260571 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009377 > ALDRICH > 82119 > FLUKA > 82120 > - > - > 16260571 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4038 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4038 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 1 4 2 0 2 5 1 0 1 6 1 0 4 7 1 0 8 9 1 0 6 9 1 0 7 10 2 0 5 8 1 0 3 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001733 > FLUKA > 00677 > - > - > - > - > 16260571 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7247 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7048 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7247 -0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7048 -0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0058 -1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7247 -2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 1 3 1 0 1 4 1 0 5 7 1 0 2 6 1 0 3 7 2 0 5 6 2 0 4 8 1 0 5 9 1 0 9 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009264 > ALDRICH > D91004 > FLUKA > 32020 > - > - > 16260571 $$$$ 20 21 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7068 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7068 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 1 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 2 2 0 0 0 10 13 1 0 0 0 5 17 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 20 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008834 > ALDRICH > 193801 > FLUKA > 34626 > - > - > 16260571 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.3585 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 2 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008893 > ALDRICH > C121452 > FLUKA > 30040 > - > - > 16260571 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.7361 -3.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7349 -4.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4497 -4.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1662 -4.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1633 -3.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4479 -2.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8762 -2.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0215 -2.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 -4.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4495 -5.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8813 -4.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 2 2 0 0 0 0 5 7 1 0 0 0 0 3 4 2 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 3 10 1 0 0 0 0 2 3 1 0 0 0 0 4 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008522 > ALDRICH > 153613 > - > - > - > - > 16260571 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 7 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009329 > ALDRICH > B90408 > FLUKA > 19630 > - > - > 16260571 $$$$ 18 18 0 0 0 0 0 0 0 0 1 V2000 -4.6590 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3693 1.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0613 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3693 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2894 2.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7624 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2894 -2.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2095 1.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5444 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2095 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8432 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7399 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3458 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2095 1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008974 > ALDRICH > 113239 > FLUKA > 44180 > - > - > 16260571 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 4.1804 -3.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1804 -4.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -4.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2196 -4.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2196 -3.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -3.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7392 -4.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2588 -4.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2588 -3.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7392 -3.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7785 -4.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2981 -4.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2981 -3.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7785 -3.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7392 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 10 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001261 > ALDRICH > M29606 > FLUKA > 65793 > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.3494 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3496 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0457 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3494 -0.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3496 -1.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0457 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0457 -0.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 -0.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0457 -1.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0457 1.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7447 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 1 4 1 0 4 5 1 0 2 6 2 0 5 7 2 0 8 10 1 0 3 9 1 0 4 10 2 0 3 11 1 0 6 12 1 0 8 9 2 0 6 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00060884 > ALDRICH > 409901 > FLUKA > 40810 > - > - > 16260571 $$$$ 16 19 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 3 11 1 0 11 12 1 0 12 13 1 0 13 7 1 0 10 14 1 0 14 15 1 0 15 16 1 0 16 6 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010584 > ALDRICH > H9605 > - > - > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7819 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7819 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0657 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0657 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7819 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 10 11 1 0 8 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004036 > ALDRICH > D170208 > - > - > - > - > 16260571 $$$$ 22 22 0 0 0 0 0 0 0 0 1 V2000 -4.5638 -3.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8897 -3.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5638 -5.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -3.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2276 -3.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8897 -6.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -1.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2276 -5.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 -0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 1.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 3.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7577 3.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7577 5.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0717 6.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 5.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3504 3.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6704 3.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9431 0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9074 -0.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2276 -1.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039871 > FLUKA > 52299 > - > - > - > - > 16260571 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -3.6215 -0.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8215 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 -0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8215 -1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6215 -0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8215 0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0161 1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2107 0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4054 1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2053 1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0107 0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8161 1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6215 0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009575 > ALDRICH > 331066 > - > - > - > - > 16260571 $$$$ 26 30 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -2.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -2.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 2.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 2.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 2.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 2.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 2 1 0 0 0 4 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 5 1 0 0 0 6 21 1 0 0 0 3 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 15 20 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 21 26 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001253 > FLUKA > 42785 > - > - > - > - > 16260571 $$$$ 18 21 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 12 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003702 > ALDRICH > B2403 > FLUKA > 12093 > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.0100 0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 -0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4196 0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4196 0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4196 -0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4196 -0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1215 0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1215 0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 1 4 1 0 2 5 2 0 2 6 1 0 3 7 1 0 4 8 2 0 7 9 2 0 8 10 1 0 7 11 1 0 8 12 1 0 6 10 2 0 5 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004121 > ALDRICH > 279919 > - > - > - > - > 16260571 $$$$ 24 30 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 6 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 8 1 0 11 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 12 1 0 15 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 16 1 0 19 4 1 0 3 23 1 0 23 24 2 0 24 20 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004134 > ALDRICH > 335355 > FLUKA > 27830 > - > - > 16260571 $$$$ 9 10 0 0 0 0 0 0 0 0 1 V2000 0.0797 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 2 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003777 > ALDRICH > I2800 > FLUKA > 56930 > - > - > 16260571 $$$$ 9 10 0 0 0 0 0 0 0 0 1 V2000 0.0797 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 1 0 8 9 1 0 9 2 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003795 > ALDRICH > I1804 > FLUKA > 56850 > - > - > 16260571 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 4 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008520 > ALDRICH > T73202 > - > - > - > - > 16260571 $$$$ 19 19 0 0 0 0 0 0 0 0 1 V2000 -4.0989 1.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0989 0.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3844 0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 0.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 1.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3844 2.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 -2.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -2.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -2.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -2.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -2.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2719 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 13 7 8 9 10 11 12 13 14 15 16 17 18 19 M SBL 1 1 7 M SMT 1 CH2(CH2)11CH3 M SBV 1 7 -0.9113 4.0357 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008980 > ALDRICH > 113247 > - > - > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 10 11 1 0 0 0 7 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004037 > ALDRICH > D170305 > FLUKA > 40790 > - > - > 16260571 $$$$ 9 10 0 0 0 0 0 0 0 0 1 V2000 0.0797 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 2 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003777 > ALDRICH > 193828 > FLUKA > 56930 > - > - > 16260571 $$$$ 20 20 0 0 0 0 0 0 0 0 1 V2000 -4.4549 1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4549 1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7404 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7404 2.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 -1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 -2.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -2.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -2.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -2.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -2.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -2.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 -1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6279 -2.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 14 7 8 9 10 11 12 13 14 15 16 17 18 19 20 M SBL 1 1 7 M SMT 1 CH2(CH2)12CH3 M SBV 1 7 1.0775 2.4551 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015080 > FLUKA > 87205 > - > - > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.7805 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7805 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7805 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 10 11 1 0 9 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004035 > ALDRICH > 360740 > FLUKA > 40778 > - > - > 16260571 $$$$ 21 21 0 0 0 0 0 0 0 0 1 V2000 -7.2678 -0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2678 -0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9821 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6676 -0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6676 -0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9821 0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9821 0.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5819 1.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3821 0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1821 1.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9821 0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7821 1.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4178 0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6178 1.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8178 0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0178 1.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2178 0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4176 1.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6178 0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6676 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015083 > FLUKA > 76589 > - > - > - > - > 16260571 $$$$ 9 10 0 0 0 0 0 0 0 0 1 V2000 0.0797 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 2 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003777 > ALDRICH > 168769 > FLUKA > 56930 > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 1.0658 0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 -0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 -0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3409 0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3409 -0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7704 0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7704 -0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0658 0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0658 -0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7704 0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7704 -0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 2 4 1 0 3 5 2 0 5 6 1 0 1 7 1 0 2 8 1 0 5 9 1 0 6 10 1 0 9 11 2 0 11 12 1 0 4 6 2 0 10 12 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004119 > ALDRICH > D170801 > FLUKA > 40830 > - > - > 16260571 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 3.7012 -2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7012 -3.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -3.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7404 -3.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7404 -2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7779 -2.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2975 -2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8171 -2.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3367 -2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009502 > ALDRICH > 113174 > FLUKA > 77080 > - > - > 16260571 $$$$ 25 25 0 0 0 0 0 0 0 0 1 V2000 -5.1669 2.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1669 1.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4524 1.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 1.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 2.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4524 3.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4079 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6959 -3.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9839 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 -3.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -3.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -3.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -3.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -3.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2719 -3.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9839 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6959 -3.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4079 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 M SAL 1 4 22 23 24 25 M SBL 1 1 7 M SMT 1 CH2(CH2)17CH3 M SBV 1 7 3.0723 2.1225 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00026692 > FLUKA > 74240 > - > - > - > - > 16260571 $$$$ 23 23 0 0 0 0 0 0 0 0 1 V2000 -2.2092 -1.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2092 -1.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6896 -2.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -1.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -1.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6896 -0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6512 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -1.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6868 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2046 -1.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7225 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2403 -1.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7581 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2759 -1.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7937 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3115 -1.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8293 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3529 -1.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8684 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3839 -1.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9078 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4233 -1.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9388 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 G 7 5 CH2(CH2)15CH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 M SAL 1 2 22 23 M SBL 1 1 7 M SMT 1 CH2(CH2)15CH3 M SBV 1 7 -0.5200 -0.2900 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039873 > ALDRICH > 51670 > - > - > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.0329 0.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0329 -0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 -0.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 -0.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 -0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 0.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 0.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 -0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 -1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 2 0 2 5 2 0 1 6 1 0 7 9 2 0 6 8 2 0 4 9 1 0 8 10 1 0 3 11 1 0 4 12 1 0 3 10 2 0 5 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004038 > ALDRICH > 251321 > FLUKA > 40800 > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.0329 0.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0329 -0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 -0.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 -0.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 -0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 0.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 0.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 -0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 -1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 2 0 2 5 2 0 1 6 1 0 7 9 2 0 6 8 2 0 4 9 1 0 8 10 1 0 3 11 1 0 4 12 1 0 3 10 2 0 5 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004038 > ALDRICH > 528145 > FLUKA > 40800 > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.0012 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 1.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -1.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -1.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 1 2 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 7 1 0 0 0 6 1 1 0 0 0 6 8 1 0 0 0 6 9 2 0 0 0 5 10 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008584 > FLUKA > 38225 > - > - > - > - > 16260571 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.0000 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7693 1.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7693 1.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7693 -1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2342 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7693 -1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2341 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2342 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2341 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 11 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004781 > ALDRICH > 240079 > FLUKA > 43100 > - > - > 16260571 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -2.1322 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1322 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4178 -1.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7033 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7033 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4178 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0087 0.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1322 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 1.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008948 > ALDRICH > 59110 > - > - > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.0199 -0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0199 -0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 -0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 -1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6703 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4038 -0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4038 -1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 4 7 1 0 2 5 1 0 1 6 1 0 3 7 2 0 2 8 1 0 3 9 1 0 8 10 1 0 6 11 2 0 11 12 1 0 4 5 2 0 9 12 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004049 > ALDRICH > 250902 > FLUKA > 04510 > - > - > 16260571 $$$$ 18 21 0 0 0 0 0 0 0 0 1 V2000 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 3 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 4 1 0 0 0 5 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 6 1 0 0 0 1 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 2 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001109 > ALDRICH > 106518 > - > - > - > - > 16260571 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -0.7049 0.0324 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.8949 0.0324 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.6949 0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1649 0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6949 -0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 -0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2949 0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6449 0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 -0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8949 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8949 -0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0949 0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015592 > ALDRICH > 438936 > - > - > - > - > 16260571 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 0.7934 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8136 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3982 0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4154 -0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4154 0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3982 -0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6073 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6274 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0253 -0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0253 0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0428 0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0428 -0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8392 -0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8392 0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8564 0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8564 -0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2546 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2546 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 1 3 2 0 4 6 2 0 3 5 1 0 1 6 1 0 1 7 1 0 2 8 1 0 7 9 2 0 7 10 1 0 8 11 2 0 8 12 1 0 9 13 1 0 10 14 2 0 11 15 1 0 12 16 2 0 14 17 1 0 16 18 1 0 2 5 2 0 13 17 2 0 15 18 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003061 > FLUKA > 86470 > - > - > - > - > 16260571 $$$$ 17 17 0 0 0 0 0 0 0 0 1 V2000 -3.6514 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6514 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2225 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2225 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 1.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6514 -1.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9394 -1.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2275 -1.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5155 -1.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8035 -1.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0915 -1.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6205 -1.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3325 -1.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0445 -1.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7565 -1.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4685 -1.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 11 7 8 9 10 11 12 13 14 15 16 17 M SBL 1 1 7 M SMT 1 CH2(CH2)9CH3 M SBV 1 7 -0.2857 2.3674 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00026549 > ALDRICH > 113220 > - > - > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.4237 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4237 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7104 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7104 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1373 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1373 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 2 11 1 0 9 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004120 > ALDRICH > 112410 > FLUKA > 40835 > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.4237 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4237 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7104 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7104 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1373 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1373 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 2 11 1 0 9 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004120 > ALDRICH > 126535 > FLUKA > 40835 > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.7117 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -1.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8266 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 3 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 1 11 1 0 5 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008832 > ALDRICH > 233587 > FLUKA > 20690 > - > - > 16260571 $$$$ 17 20 0 0 0 0 0 0 0 0 1 V2000 0.1231 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1233 0.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5329 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9398 0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1862 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9396 -0.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 1.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2261 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 1.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 -0.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -1.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2489 0.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2892 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5354 0.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -1.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5354 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 2 4 1 0 3 5 1 0 6 1 1 0 2 7 1 0 6 8 2 0 8 9 1 0 4 10 1 0 5 11 1 0 6 12 1 0 8 13 1 0 10 14 2 0 11 15 2 0 12 16 2 0 16 17 1 0 4 5 2 0 7 9 2 0 13 17 2 0 14 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039578 > ALDRICH > 12490 > - > - > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.0671 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0671 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7806 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 10 11 1 0 2 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004039 > ALDRICH > 250937 > FLUKA > 40808 > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.6948 0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6948 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 0.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4281 0.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0386 -0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3851 -0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1186 0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1186 -0.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4053 0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1186 0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 4 7 1 0 2 5 1 0 1 6 1 0 3 7 2 0 3 8 1 0 6 9 2 0 9 10 1 0 4 5 2 0 8 10 2 0 5 11 1 0 11 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004127 > ALDRICH > E40005 > - > - > - > - > 16260571 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.6503 0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3447 -0.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3448 0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3447 -2.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3448 2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 -3.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 -0.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 3.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 -2.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 12 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004796 > ALDRICH > B33706 > FLUKA > 14330 > - > - > 16260571 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -2.0652 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7663 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7673 1.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5404 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7673 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6875 2.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8392 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6875 -2.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6075 1.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1382 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6075 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4372 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7359 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6075 1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009564 > ALDRICH > 113190 > FLUKA > 75010 > - > - > 16260571 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.0000 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7693 1.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7693 1.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7693 -1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2342 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7693 -1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2341 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2342 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2341 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 11 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004781 > ALDRICH > D209317 > FLUKA > 43100 > - > - > 16260571 $$$$ 24 24 0 0 0 0 0 0 0 0 1 V2000 -5.1669 2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1669 1.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4524 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 1.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4524 2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0519 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3399 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6279 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3399 -2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0519 -2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 M SAL 1 3 22 23 24 M SBL 1 1 7 M SMT 1 CH2(CH2)16CH3 M SBV 1 7 2.0289 2.3542 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00048500 > FLUKA > 74755 > - > - > - > - > 16260571 $$$$ 13 15 0 0 0 0 0 0 0 0 1 V2000 -1.7706 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 -0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4751 -0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4121 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9635 0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -0.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 -0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7724 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9656 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001111 > ALDRICH > 128333 > FLUKA > 46890 > - > - > 16260571 $$$$ 13 15 0 0 0 0 0 0 0 0 1 V2000 -1.7706 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 -0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4751 -0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4121 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9635 0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -0.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 -0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7724 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9656 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001111 > ALDRICH > 418196 > FLUKA > 46890 > - > - > 16260571 $$$$ 13 15 0 0 0 0 0 0 0 0 1 V2000 -1.7706 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 -0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4751 -0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4121 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9635 0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -0.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 -0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7724 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9656 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001111 > ALDRICH > 46880 > FLUKA > 46890 > - > - > 16260571 $$$$ 15 18 0 0 0 0 0 0 0 0 1 V2000 -1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0721 1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 10 14 1 0 14 15 1 0 15 6 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003804 > ALDRICH > 261424 > - > - > - > - > 16260571 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -1.4077 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1088 1.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1179 1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1898 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1179 -1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 1.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -2.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9583 1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7957 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9583 -1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0947 1.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9583 2.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009545 > ALDRICH > 113182 > - > - > - > - > 16260571 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7032 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 1.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4166 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 -0.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7147 -1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4282 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 1 3 1 0 1 4 1 0 2 5 1 0 6 7 1 0 4 7 2 0 5 6 2 0 8 5 1 0 8 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009259 > ALDRICH > E49606 > FLUKA > 04942 > - > - > 16260571 $$$$ 22 26 0 0 0 0 0 0 0 0 1 V2000 -2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 14 1 0 11 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003603 > ALDRICH > D31206 > FLUKA > 33528 > - > - > 16260571 $$$$ 22 26 0 0 0 0 0 0 0 0 1 V2000 -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 6 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 8 1 0 12 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 18 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003708 > ALDRICH > D31400 > - > - > - > - > 16260571 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 0.4558 0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4558 2.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6432 0.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6431 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6432 -1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9825 0.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6431 -2.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9824 0.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9825 -2.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3218 0.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9824 -2.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3218 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3218 -1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3218 -2.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 13 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008794 > ALDRICH > D211508 > FLUKA > 43181 > - > - > 16260571 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0087 1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7162 0.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0143 1.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7046 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7106 -0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7162 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0029 -1.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7075 -1.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 1 3 1 0 1 4 1 0 2 5 1 0 6 7 1 0 4 7 2 0 5 6 2 0 8 6 1 0 8 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009263 > ALDRICH > E49800 > FLUKA > 04943 > - > - > 16260571 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.4008 -4.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4008 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -2.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 -4.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -4.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -2.0957 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1141 -1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9391 -2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2888 -2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1148 -5.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 6 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008837 > ALDRICH > 510025 > FLUKA > 20650 > - > - > 16260571 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -1.7887 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0742 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0742 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0742 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0742 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7887 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7887 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 3 8 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 14 15 1 0 11 16 1 0 7 15 1 0 8 16 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003707 > ALDRICH > P225 > FLUKA > 76225 > - > - > 16260571 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.4008 -4.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4008 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -2.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 -4.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -4.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -2.0957 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1141 -1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9391 -2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2888 -2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1148 -5.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 6 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008837 > ALDRICH > B102628 > FLUKA > 20650 > - > - > 16260571 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 0.2689 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2689 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 0.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5384 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 -0.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5384 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 1 2 0 0 0 1 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 2 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003810 > ALDRICH > A97203 > - > - > - > - > 16260571 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7032 0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 0.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4166 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 -0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7147 -1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4282 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 2 3 1 0 1 4 1 0 1 5 1 0 2 6 1 0 3 7 1 0 8 9 1 0 5 9 2 0 6 8 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009257 > ALDRICH > E49401 > FLUKA > 04941 > - > - > 16260571 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.6791 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2666 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2666 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2041 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2041 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4459 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6777 1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6791 -1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6791 0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 8 1 0 6 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00016358 > ALDRICH > 393959 > - > - > - > - > 16260571 $$$$ 18 18 0 0 0 0 0 0 0 0 1 V2000 6.1792 -2.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1787 -3.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -1.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -3.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7477 -2.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4597 -3.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0308 -3.5330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4426 -4.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3144 -3.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6189 -2.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9027 -3.5399 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3182 -2.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6253 -3.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 -4.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4688 -1.0586 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2917 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 3 5 2 0 0 0 0 2 6 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 2 11 1 0 0 0 0 3 15 1 0 0 0 0 1 2 2 0 0 0 0 15 16 1 0 0 0 0 1 3 1 0 0 0 0 15 17 1 0 0 0 0 4 5 1 0 0 0 0 15 18 1 0 0 0 0 G 7 4 t-Bu G 11 2 t-Bu M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 7 8 9 10 M SBL 1 1 7 M SDI 1 4 4.1600 -3.2100 4.3700 -3.5700 M SMT 1 t-Bu M SBV 1 7 0.7200 0.4000 M SAL 2 4 11 12 13 14 M SBL 2 1 11 M SDI 2 4 6.5500 -3.5700 6.7600 -3.2200 M SMT 2 t-Bu M SBV 2 11 -0.7300 0.4100 M SDS EXP 2 1 2 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008831 > ALDRICH > 223778 > FLUKA > 90793 > - > - > 16260571 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -0.0101 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6889 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6889 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6891 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6891 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 2 0 2 4 2 0 3 5 1 0 1 6 1 0 3 7 1 0 5 8 1 0 6 9 2 0 9 10 1 0 7 10 2 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001672 > ALDRICH > D105937 > FLUKA > 37340 > - > - > 16260571 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 -3.3601 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0612 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0623 1.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7623 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0623 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9825 2.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5444 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9825 -2.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9105 1.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8432 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9105 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9105 1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008955 > ALDRICH > 113212 > FLUKA > 78368 > - > - > 16260571 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 3.7012 -2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7012 -3.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -3.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7404 -3.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7404 -2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7779 -2.9031 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1725 -2.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7779 -3.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 8 10 1 0 0 0 0 1 2 2 0 0 0 0 8 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00038279 > ALDRICH > 359076 > FLUKA > 41532 > - > - > 16260571 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008881 > ALDRICH > C87657 > FLUKA > 28230 > - > - > 16260571 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 1 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 2 2 0 0 0 11 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008533 > ALDRICH > P36401 > - > - > - > - > 16260571 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -1.7819 1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7819 0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 1.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0713 1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0713 2.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -1.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -2.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 -2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 -1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 7 12 1 0 3 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 13 18 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003059 > ALDRICH > T3009 > FLUKA > 86468 > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 0.0129 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 -0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -1.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 -1.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 1.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 1.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 -2.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 2.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 1 4 1 0 2 5 1 0 2 6 1 0 3 7 1 0 4 8 2 0 5 9 1 0 6 10 1 0 8 11 1 0 10 12 1 0 7 11 2 0 9 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001451 > ALDRICH > C104809 > FLUKA > 78320 > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 4 9 1 0 0 0 3 10 1 0 0 0 2 11 1 0 0 0 1 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008523 > ALDRICH > 429082 > FLUKA > 52611 > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.7628 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5379 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4572 1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8308 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4572 -1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3684 2.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1237 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3684 -2.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2796 1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4165 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2796 -1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2796 1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009526 > ALDRICH > P25701 > FLUKA > 53160 > - > - > 16260571 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 0.9367 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9367 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 -1.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9758 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9758 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4954 -1.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0149 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0149 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4954 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5345 -1.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5345 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0433 -0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 13 9 1 0 0 0 0 13 14 2 0 0 0 0 14 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001239 > ALDRICH > 126179 > FLUKA > 37280 > - > - > 16260571 $$$$ 20 23 0 0 0 0 0 0 0 0 1 V2000 0.0572 0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7247 0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4697 1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0572 -0.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6547 -0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3692 -0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 -0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 -1.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3692 -2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6547 -1.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5317 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0837 1.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8287 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0218 2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9073 2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7143 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9692 1.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4172 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 1 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 2 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 3 1 0 4 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 5 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00019092 > ALDRICH > 569623 > - > - > - > - > 16260571 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 2 1 0 1 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 1 1 0 7 13 1 0 13 14 1 0 14 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001164 > ALDRICH > D106003 > FLUKA > 37349 > - > - > 16260571 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 15 13 1 0 16 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003584 > ALDRICH > 214663 > - > - > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 10 11 1 0 0 0 6 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004040 > ALDRICH > 282537 > FLUKA > 40815 > - > - > 16260571 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7132 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 2 8 1 0 4 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008538 > SIGMA-ALDRICH > M7200 > - > - > - > - > 16260571 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 2.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3596 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0758 -2.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0758 -0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 5 7 1 0 4 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 7 13 1 0 8 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 8 18 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003055 > ALDRICH > T2800 > FLUKA > 86467 > - > - > 16260571 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3581 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3467 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 -0.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 -1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0658 1.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3438 1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 -1.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -1.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 -1.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 2 5 1 0 3 6 1 0 3 7 1 0 4 8 2 0 8 9 1 0 5 9 2 0 10 5 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008891 > ALDRICH > 255289 > - > - > - > - > 16260571 $$$$ 30 30 0 0 0 0 0 0 0 0 1 V2000 -5.2317 2.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2317 2.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5172 1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8027 2.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8027 2.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5172 3.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0058 3.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4225 2.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2194 1.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4329 0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0883 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8027 0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8027 1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0883 1.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5172 1.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2317 1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6593 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9449 0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5676 -0.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5676 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8531 -2.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1387 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1387 -0.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8531 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3418 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2416 -1.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8531 -2.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1387 -3.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 4 1 0 0 0 10 9 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 17 15 1 0 0 0 18 17 1 0 0 0 19 12 1 0 0 0 20 19 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 21 1 0 0 0 27 25 1 0 0 0 28 27 1 0 0 0 29 23 1 0 0 0 30 29 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00792900 > ALDRICH > D91055 > FLUKA > 32030 > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.0013 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 0.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7035 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3879 0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 -1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 -0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7234 -1.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 -0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3966 1.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 1.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 2 4 1 0 3 5 1 0 3 6 2 0 2 7 1 0 6 8 1 0 4 9 1 0 4 10 1 0 5 11 1 0 5 12 1 0 7 8 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008889 > ALDRICH > 113263 > FLUKA > 38350 > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 4 9 1 0 0 0 3 10 1 0 0 0 2 11 1 0 0 0 1 12 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008523 > ALDRICH > 322377 > FLUKA > 52611 > - > - > 16260571 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -0.7117 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7149 1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1415 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1415 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 4 10 1 0 10 11 1 0 10 12 1 0 2 13 1 0 13 14 1 0 13 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008890 > ALDRICH > 161004 > FLUKA > 92075 > - > - > 16260571 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -0.0101 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6889 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6889 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6891 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6891 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 2 0 2 4 2 0 3 5 1 0 1 6 1 0 3 7 1 0 5 8 1 0 6 9 2 0 9 10 1 0 7 10 2 0 4 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001672 > ALDRICH > 430986 > FLUKA > 37340 > - > - > 16260571 $$$$ 18 21 0 0 0 0 0 0 0 0 1 V2000 -2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 11 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003698 > ALDRICH > C80008 > - > - > - > - > 16260571 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 4 10 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008888 > ALDRICH > 255270 > FLUKA > 30035 > - > - > 16260571 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 10 15 1 0 7 16 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001262 > ALDRICH > D146706 > FLUKA > 39555 > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.0013 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 -0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 1.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 -1.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 1 3 2 0 3 4 1 0 5 6 2 0 1 6 1 0 2 7 1 0 1 8 1 0 7 9 1 0 7 10 1 0 8 11 1 0 8 12 1 0 2 5 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008892 > ALDRICH > 126276 > FLUKA > 38355 > - > - > 16260571 $$$$ 24 29 0 0 0 0 0 0 0 0 1 V2000 1.0708 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2167 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 2 1 0 0 0 0 10 4 2 0 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 13 5 1 0 0 0 0 14 7 1 0 0 0 0 15 7 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 21 1 0 0 0 0 19 11 2 0 0 0 0 20 12 2 0 0 0 0 21 14 2 0 0 0 0 22 15 1 0 0 0 0 23 19 1 0 0 0 0 24 23 2 0 0 0 0 8 4 1 0 0 0 0 9 16 2 0 0 0 0 18 22 2 0 0 0 0 17 13 2 0 0 0 0 10 12 1 0 0 0 0 20 24 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191469 > ALDRICH > 380946 > - > - > - > - > 16260571 $$$$ 28 31 0 0 0 0 0 0 0 0 1 V2000 -0.4958 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7917 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -0.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0583 -0.1667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8292 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 -0.8750 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 0.9292 -0.9792 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 0.4792 1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3417 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8292 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 -1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2083 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 13 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 10 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 4 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 11 1 0 0 0 0 20 11 1 0 0 0 0 21 11 1 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 12 1 0 0 0 0 25 27 1 0 0 0 0 26 15 2 0 0 0 0 27 18 2 0 0 0 0 28 17 2 0 0 0 0 7 9 2 0 0 0 0 26 28 1 0 0 0 0 8 6 1 0 0 0 0 25 16 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863508 > ALDRICH > 476587 > - > - > - > - > 16260571 $$$$ 9 10 0 0 0 0 0 0 0 0 1 V2000 -1.4830 -0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 -1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 7 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001275 > ALDRICH > 158011 > - > - > - > - > 16260571 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 -3.2126 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2126 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 -0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 10 13 1 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00041831 > ALDRICH > 364126 > - > - > - > - > 16260571 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -1.3726 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 -0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0563 0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0563 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 1.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7683 1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4803 1.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1794 0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 -2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4803 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 3 11 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 7 M SMT 1 t-Bu M SBV 1 7 -4.9305 5.3896 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 11 12 13 14 M SBL 2 1 11 M SMT 2 t-Bu M SBV 2 11 -5.6425 4.1564 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008830 > ALDRICH > 272051 > - > - > - > - > 16260571 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2126 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 9 1 0 0 0 12 15 1 0 0 0 5 16 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00026025 > ALDRICH > 121444 > - > - > - > - > 16260571 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7433 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9269 0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9269 0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7433 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3481 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1364 -0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 0.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7152 0.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1364 -0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3481 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 1 1 0 2 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 3 1 0 6 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 7 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003591 > ALDRICH > D104957 > - > - > - > - > 16260571 $$$$ 21 23 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9645 0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7715 0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4744 -0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 -0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7715 0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8306 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8306 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8306 -0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5451 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0441 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8306 -0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5451 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 2 0 0 0 2 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 3 1 0 0 0 5 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 1 1 0 0 0 8 14 1 0 0 0 11 15 1 0 0 0 14 16 1 0 0 0 14 17 1 0 0 0 14 18 1 0 0 0 15 19 1 0 0 0 15 20 1 0 0 0 15 21 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03093998 > ALDRICH > 543306 > - > - > - > - > 16260571 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.7805 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7805 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7805 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 9 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004118 > ALDRICH > M57006 > FLUKA > 67890 > - > - > 16260571 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 6.0542 -3.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -2.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -2.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -3.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -3.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -3.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -3.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -3.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -3.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -2.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -2.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -3.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -3.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 7 12 2 0 0 0 0 1 7 1 0 0 0 0 10 13 1 0 0 0 0 4 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008545 > ALDRICH > D151203 > - > - > - > - > 16260571 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.6958 0.1458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1792 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0917 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6958 1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -0.8083 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 -0.0917 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 7 2 0 0 0 0 13 12 1 0 0 0 0 4 6 1 0 0 0 0 11 13 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00674105 > ALDRICH > 466719 > - > - > - > - > 16260571 $$$$ 18 18 0 0 0 0 0 0 0 0 1 V2000 -0.7157 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 1.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -1.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 7 5 1 0 0 0 8 4 1 0 0 0 1 9 1 0 0 0 2 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 10 13 1 0 0 0 10 14 1 0 0 0 8 15 1 0 0 0 8 16 1 0 0 0 7 17 1 0 0 0 7 18 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008886 > ALDRICH > 178160 > - > - > - > - > 16260571 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6471 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2971 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0596 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2971 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0596 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 6 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 7 1 0 8 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001452 > ALDRICH > 179582 > - > - > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 6 11 1 0 7 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00128082 > ALDRICH > 528137 > - > - > - > - > 16260571 $$$$ 24 28 0 0 0 0 0 0 0 0 1 V2000 -0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4248 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4248 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 1 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 8 1 0 5 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 6 1 0 3 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 4 1 0 1 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 2 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00134492 > ALDRICH > 379328 > - > - > - > - > 16260571 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003983 > ALDRICH > P27402 > - > - > - > - > 16260571 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 5.4573 -3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0573 -3.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3621 -2.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9621 -2.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2572 -3.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9524 -3.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3524 -3.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1645 -2.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5646 -2.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2574 -3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5646 -3.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1645 -3.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -4.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6129 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 2 0 0 0 0 1 2 1 0 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 1 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00048075 > ALDRICH > 474703 > - > - > - > - > 16260571 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 3.9815 -3.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9815 -4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5011 -4.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0207 -4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0207 -3.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5011 -3.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4671 -3.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9336 -3.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2325 -3.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2675 -2.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4532 -2.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9728 -3.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4924 -2.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4924 -2.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9728 -2.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4532 -2.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 5 7 1 0 0 0 0 11 8 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00026343 > ALDRICH > 273406 > - > - > - > - > 16260571 $$$$ 21 24 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6708 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 1.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6667 1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9667 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 2 0 0 0 0 10 11 2 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 3 1 0 0 0 0 14 5 1 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 6 1 0 0 0 0 18 13 2 0 0 0 0 19 12 2 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 4 5 1 0 0 0 0 20 15 2 0 0 0 0 14 21 2 0 0 0 0 10 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00674016 > ALDRICH > 445649 > - > - > - > - > 16260571 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 0.1125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9333 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5833 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 4 2 0 0 0 0 8 5 2 0 0 0 0 9 6 2 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 10 2 0 0 0 0 14 9 1 0 0 0 0 15 13 1 0 0 0 0 4 5 1 0 0 0 0 15 14 2 0 0 0 0 12 11 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00239514 > ALDRICH > 446300 > - > - > - > - > 16260571 $$$$ 21 25 0 0 0 0 0 0 0 0 1 V2000 -2.5006 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 10 1 0 13 18 1 0 18 19 2 0 19 20 1 0 20 15 2 0 3 21 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00028971 > ALDRICH > 380903 > - > - > - > - > 16260571 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.9119 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9119 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1974 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1974 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6604 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6604 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9119 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 9 1 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003581 > ALDRICH > 222267 > - > - > - > - > 16260571 $$$$ 20 23 0 0 0 0 0 0 0 0 1 V2000 -1.6102 0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6102 -0.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3247 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0391 -0.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0391 0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3247 0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8256 0.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3406 -0.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8256 -0.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6102 0.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6102 -0.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3247 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0391 -0.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0391 0.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3247 0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8256 0.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8256 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4168 1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4082 1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 2 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 10 16 1 0 16 17 2 0 17 18 1 0 18 11 1 0 19 20 1 0 20 7 1 0 19 16 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191814 > ALDRICH > 393223 > - > - > - > - > 16260571 $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 8 2 0 0 0 1 14 1 0 0 0 9 15 1 0 0 0 13 16 1 0 0 0 3 17 1 0 0 0 5 18 1 0 0 0 11 19 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00014913 > ALDRICH > 405787 > - > - > - > - > 16260571 $$$$ 34 39 0 0 0 0 0 0 0 0 1 V2000 -2.6346 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6346 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9201 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9201 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4912 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2233 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2233 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4912 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1682 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2429 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4761 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2429 -1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9023 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3133 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5465 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 -1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3133 -1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9903 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4014 -0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2235 -0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6346 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2235 1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4014 1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9023 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3133 1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5465 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3133 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 11 16 1 0 0 0 7 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 17 22 1 0 0 0 9 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 23 28 1 0 0 0 10 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 29 34 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 11 12 13 14 15 16 M SBL 1 1 12 M SMT 1 Ph M SBV 1 12 -5.4557 4.3921 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 17 18 19 20 21 22 M SBL 2 1 19 M SMT 2 Ph M SBV 2 19 -5.8117 4.1866 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 23 24 25 26 27 28 M SBL 3 1 26 M SMT 3 Ph M SBV 3 26 -4.6335 4.8032 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 29 30 31 32 33 34 M SBL 4 1 33 M SMT 4 Ph M SBV 4 33 -5.8117 5.0087 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00046418 > ALDRICH > 149799 > - > - > - > - > 16260571 $$$$ 22 25 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 12 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 13 1 0 0 0 16 21 1 0 0 0 9 22 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01863647 > ALDRICH > 499773 > - > - > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.2625 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 11 2 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 5 4 1 0 0 0 0 8 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01321240 > ALDRICH > 462802 > - > - > - > - > 16260571 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.4238 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 10 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004034 > ALDRICH > M56808 > FLUKA > 67880 > - > - > 16260571 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 14 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00015362 > ALDRICH > 333573 > - > - > - > - > 16260571 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -3.2126 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2126 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 7 1 0 0 0 10 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00100665 > ALDRICH > 545163 > - > - > - > - > 16260571 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 4.3000 -4.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -5.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1250 -5.4208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9500 -5.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -4.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -3.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -4.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7166 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7166 -4.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 6 3 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 1 2 2 0 0 0 0 5 9 1 0 0 0 0 2 4 1 0 0 0 0 4 10 1 0 0 0 0 3 1 1 0 0 0 0 2 11 1 0 0 0 0 4 5 1 0 0 0 0 1 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001337 > ALDRICH > 136697 > - > - > - > - > 16260571 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.8236 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2361 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4736 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2361 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2389 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6514 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2389 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4736 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 1 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 2 2 0 0 0 10 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008544 > ALDRICH > P36606 > - > - > - > - > 16260571 $$$$ 20 24 0 0 0 0 0 0 0 0 1 V2000 4.9719 -7.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7687 -7.6603 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5656 -7.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3844 -7.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9781 -7.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1812 -6.9458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8010 -5.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9719 -6.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1469 -6.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -7.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1469 -7.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9781 -8.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8031 -8.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2156 -7.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8031 -7.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5154 -5.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5154 -4.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 -4.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0865 -4.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0865 -5.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 4 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 6 5 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 1 1 0 0 0 0 3 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 5 1 0 0 0 0 7 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 7 1 0 0 0 0 6 16 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003813 > ALDRICH > 117617 > - > - > - > - > 16260571 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -0.3585 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4816 0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 1.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1781 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4661 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 5 7 1 0 3 12 1 0 1 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00026300 > ALDRICH > 273015 > - > - > - > - > 16260571 $$$$ 24 27 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 6 7 1 0 0 0 2 8 1 0 0 0 4 9 1 0 0 0 7 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 7 2 0 0 0 8 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 8 2 0 0 0 9 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 9 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003060 > ALDRICH > T82007 > - > - > - > - > 16260571 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 1.4240 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 2.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 2.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -2.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 6 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001673 > ALDRICH > P22605 > - > - > - > - > 16260571 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.0291 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2041 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4459 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2666 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6791 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2666 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6791 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 2 2 0 0 0 1 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 1 1 0 0 0 5 13 1 0 0 0 13 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010236 > ALDRICH > 246913 > - > - > - > - > 16260571 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 0.4500 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9333 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 5 4 1 0 0 0 0 8 10 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00274253 > ALDRICH > 449431 > - > - > - > - > 16260571 $$$$ 22 22 0 0 0 0 0 0 0 0 1 V2000 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5699 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2843 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9988 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5699 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2843 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9988 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 3 8 1 0 9 7 1 0 10 9 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 8 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 14 19 1 0 19 20 1 0 9 21 1 0 21 22 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06200711 > ALDRICH > 636738 > - > - > - > - > 16260571 $$$$ 12 14 0 0 0 0 0 0 0 0 1 V2000 -0.4125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 1 1 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 4 1 0 1 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001110 > ALDRICH > 321958 > - > - > - > - > 16260571 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -1.7968 0.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4531 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6523 -0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4237 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6818 -0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4008 0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4941 -0.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0253 0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7443 1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7742 -1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 10 14 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001131 > ALDRICH > M46594 > - > - > - > - > 16260571 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 2 2 0 0 0 1 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 1 1 0 0 0 6 13 1 0 0 0 9 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008534 > ALDRICH > D151009 > - > - > - > - > 16260571 $$$$ 18 21 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 6 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 14 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003599 > ALDRICH > B2209 > FLUKA > 12090 > - > - > 16260571 $$$$ 24 27 0 0 0 0 0 0 0 0 1 V2000 -1.7849 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 8 1 0 0 0 7 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 7 2 0 0 0 4 19 1 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 19 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003056 > ALDRICH > 276774 > - > - > - > - > 16260571 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.3597 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 -0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6606 -1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4828 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 8 5 1 0 0 0 2 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 12 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 9 M SMT 1 ^t-Bu M SBV 1 9 -4.2029 2.3075 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00038277 > ALDRICH > 425141 > - > - > - > - > 16260571 $$$$ 20 24 0 0 0 0 0 0 0 0 1 V2000 -2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 11 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 8 16 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010582 > ALDRICH > 275336 > - > - > - > - > 16260571 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 1 1 0 0 0 2 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 2 2 0 0 0 12 13 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008517 > ALDRICH > 292192 > - > - > - > - > 16260571 $$$$ 30 30 0 0 0 0 0 0 0 0 1 V2000 2.0563 -6.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0563 -6.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -7.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4853 -6.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4853 -6.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -5.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -4.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -8.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3333 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7583 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4708 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6083 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3333 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7583 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4708 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6083 -8.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 6 7 1 0 0 0 0 16 17 1 0 0 0 0 1 2 2 0 0 0 0 17 18 1 0 0 0 0 3 8 1 0 0 0 0 18 19 1 0 0 0 0 2 3 1 0 0 0 0 8 20 1 0 0 0 0 7 9 1 0 0 0 0 20 21 1 0 0 0 0 3 4 2 0 0 0 0 21 22 1 0 0 0 0 9 10 1 0 0 0 0 22 23 1 0 0 0 0 4 5 1 0 0 0 0 23 24 1 0 0 0 0 10 11 1 0 0 0 0 24 25 1 0 0 0 0 5 6 2 0 0 0 0 25 26 1 0 0 0 0 11 12 1 0 0 0 0 26 27 1 0 0 0 0 6 1 1 0 0 0 0 27 28 1 0 0 0 0 12 13 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05865207 > ALDRICH > 637041 > - > - > - > - > 16260571 $$$$ 22 22 0 0 0 0 0 0 0 0 1 V2000 -0.6941 0.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6941 -0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7348 -0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7348 0.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 1.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4468 1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7704 0.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5838 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0939 0.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9074 0.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4175 -0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2309 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2309 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5828 -0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8762 -1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5215 -1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8734 -0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1668 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 -0.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 2 22 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05865209 > ALDRICH > 637076 > - > - > - > - > 16260571 $$$$ 24 27 0 0 0 0 0 0 0 0 1 V2000 -0.5057 -0.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 -0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5026 -1.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0974 -1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3958 -0.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0943 -0.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9938 -0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2961 -1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8961 -1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1938 -0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8961 -0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2961 -0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7897 -0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0897 -1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9897 -0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0897 -0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5877 -0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8877 -1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4877 -1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7877 -0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4877 -0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8877 -0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003062 > ALDRICH > Q205 > - > - > - > - > 16260571 $$$$ 20 24 0 0 0 0 0 0 0 0 1 V2000 -2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 14 1 0 18 19 1 0 19 20 2 0 20 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003602 > FLUKA > 12780 > - > - > - > - > 16260571 $$$$ 31 33 0 0 0 0 0 0 0 0 1 V2000 5.9750 -5.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -5.3792 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -5.3792 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -6.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9417 -6.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6000 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -7.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3833 -7.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5708 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -7.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 1 1 0 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 19 1 0 0 0 0 23 18 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 23 1 0 0 0 0 27 22 1 0 0 0 0 28 20 1 0 0 0 0 29 21 1 0 0 0 0 30 25 1 0 0 0 0 31 24 1 0 0 0 0 4 5 1 0 0 0 0 7 14 2 0 0 0 0 6 15 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427151 > ALDRICH > 554936 > - > - > - > - > 16260571 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001240 > ALDRICH > 141062 > FLUKA > 10590 > - > - > 16260571 $$$$ 42 48 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 1 7 1 0 0 0 6 8 1 0 0 0 5 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 9 1 0 0 0 8 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 8 2 0 0 0 7 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 7 1 0 0 0 2 25 1 0 0 0 3 26 1 0 0 0 4 27 1 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 32 27 2 0 0 0 26 33 2 0 0 0 33 34 1 0 0 0 34 35 2 0 0 0 35 36 1 0 0 0 36 37 2 0 0 0 37 26 1 0 0 0 25 38 1 0 0 0 38 39 2 0 0 0 39 40 1 0 0 0 40 41 2 0 0 0 41 42 1 0 0 0 42 25 2 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003057 > ALDRICH > 149454 > - > - > - > - > 16260571 $$$$ 17 20 0 0 0 0 0 0 0 0 1 V2000 -1.0913 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3508 -0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1588 -0.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7072 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4477 0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6397 0.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 -1.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2663 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0159 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -0.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3456 -0.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0953 0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2893 0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1516 -0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7072 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4569 0.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6509 1.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 9 1 0 8 1 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 11 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003595 > ALDRICH > 123595 > FLUKA > 12495 > - > - > 16260571 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 6 7 1 0 5 8 1 0 3 9 1 0 2 10 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008528 > ALDRICH > T19607 > FLUKA > 44624 > - > - > 16260571 $$$$ 22 26 0 0 0 0 0 0 0 0 1 V2000 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 12 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 16 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003710 > ALDRICH > 698423 > - > - > - > - > 16260571 $$$$ 20 23 0 0 0 0 0 0 0 0 1 V2000 0.9325 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5305 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5305 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 10 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00001252 > ALDRICH > P18004 > - > - > - > - > 16260571 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 1.2996 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1246 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5371 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3621 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7746 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3621 0.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5371 0.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8871 0.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0621 0.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3504 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0621 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8871 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7746 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0626 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3506 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6387 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9267 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 2 2 0 0 0 1 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 1 1 0 0 0 10 17 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 13 14 15 16 17 M SBL 1 1 14 M SMT 1 CH3(CH2)3CH^2 M SBV 1 14 -8.1497 3.0690 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00009503 > ALDRICH > 222151 > - > - > - > - > 16260571 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 4.3176 2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3176 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9066 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0844 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6734 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8512 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4402 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6152 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0262 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8484 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2594 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0816 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4926 2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 14 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SBL 1 1 1 M SMT 1 CH3(CH2)12C^H M SBV 1 1 0.8250 0.0000 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00008987 > FLUKA > 09866 > - > - > - > - > 16260571 $$$$ 18 21 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 12 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003702 > ALDRICH > 698415 > FLUKA > 12093 > - > - > 16260571 $$$$