15 17 0 0 0 0 0 0 0 0 1 V2000 -0.9237 0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 -0.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.7974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7385 -0.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9299 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4219 1.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4031 1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7097 0.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3199 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 -0.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -0.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3378 -1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1284 -0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3199 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7206 0.5912 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 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 1 1 0 1 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 2 1 0 4 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 5 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005071 > ALDRICH > 143650 > FLUKA > 56802 > - > - > 16259139 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.4945 1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0779 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4945 0.0340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9111 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4945 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0656 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6489 -1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3634 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0779 -1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0656 0.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 1 1 0 3 5 1 0 6 5 1 0 7 6 1 0 8 7 1 0 9 8 1 0 10 9 1 0 7 11 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00013329 > FLUKA > 11538 > - > - > - > - > 16259139 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.1409 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 10 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00023646 > ALDRICH > 403555 > - > - > - > - > 16259139 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.7157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.7157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 -1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 -1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 1 1 0 0 0 2 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 3 1 0 0 0 9 15 1 0 0 0 12 16 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004973 > ALDRICH > N1501 > - > - > - > - > 16259139 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.6524 -0.0034 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1697 -0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5869 0.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4119 0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8196 -0.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4024 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5774 -0.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -0.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4746 -0.0034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6524 0.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6524 -0.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0505 -0.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 2 1 0 5 8 1 0 1 9 1 0 1 10 2 0 1 11 2 0 9 12 1 0 12 13 1 0 13 14 1 0 14 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00022359 > ALDRICH > 367826 > - > - > - > - > 16259139 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -0.9237 0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 -0.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.7974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7385 -0.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9299 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4219 1.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4031 1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7097 0.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3199 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 -0.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -0.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3378 -1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1284 -0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3199 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7206 0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 1 1 0 1 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 2 1 0 4 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 5 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005070 > FLUKA > 56785 > - > - > - > - > 16259139 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.9036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7433 -0.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9269 0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9269 0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7433 -0.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 1 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006934 > FLUKA > 52660 > - > - > - > - > 16259139 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 3 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00043004 > ALDRICH > 359505 > FLUKA > 69440 > - > - > 16259139 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -2.4458 -0.1458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.0875 -0.6458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7000 -0.2458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4917 0.9458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2917 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0792 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4917 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -0.1458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -0.1458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 -0.1458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 12 11 1 0 0 0 0 10 3 1 0 0 0 0 7 2 1 0 0 0 0 5 2 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00192205 > ALDRICH > 418501 > - > - > - > - > 16259139 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 6 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 7 1 0 8 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 8 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00121717 > ALDRICH > 403547 > - > - > - > - > 16259139 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.4833 0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -0.5834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1001 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3522 -0.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.2146 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 1 1 0 0 0 5 6 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SMT 1 • HCl M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191762 > ALDRICH > 414336 > - > - > - > - > 16259139 $$$$ 17 19 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.4919 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7433 -0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9269 0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9269 0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7433 -0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3481 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1364 -0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 0.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7152 0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 0.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1364 -0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3481 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 -1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 -1.3154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 1 1 0 0 0 0 2 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 3 1 0 0 0 0 6 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 7 1 0 0 0 0 1 16 1 0 0 0 0 1 2 1 0 0 0 0 16 17 3 0 0 0 0 G 16 1 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 16 17 M SBL 1 1 17 M SMT 1 CN M SBV 1 17 0.0100 0.8200 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03094039 > ALDRICH > 548636 > - > - > - > - > 16259139 $$$$ 17 19 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.6542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 -0.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7167 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 3 2 0 0 0 0 11 3 1 0 0 0 0 12 9 2 0 0 0 0 13 10 1 0 0 0 0 14 11 2 0 0 0 0 15 8 1 0 0 0 0 16 12 1 0 0 0 0 17 14 1 0 0 0 0 7 5 1 0 0 0 0 16 15 2 0 0 0 0 17 13 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00192107 > ALDRICH > 406031 > - > - > - > - > 16259139 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 4.0942 -3.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0949 -3.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5755 -4.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0557 -3.9522 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5359 -4.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0162 -3.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0156 -3.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5348 -3.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5342 -2.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0535 -2.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 -2.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -3.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0547 -3.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2396 -3.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 -3.4487 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 1 12 1 0 0 0 0 12 13 1 0 0 0 0 4 13 1 0 0 0 0 8 13 2 0 0 0 0 14 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00198009 > ALDRICH > 407518 > - > - > - > - > 16259139 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -0.0064 -0.2856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0064 -1.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7369 0.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9204 0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4061 1.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 1.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7497 0.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3416 -0.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -0.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3136 0.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7088 1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7302 1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3136 0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3031 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 -1.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7056 -1.5217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 1 1 0 3 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 4 1 0 7 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 8 2 0 2 17 2 0 2 18 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00012314 > ALDRICH > 308943 > - > - > - > - > 16259139 $$$$ 19 19 0 0 0 0 0 0 0 0 1 V2000 6.7875 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1875 -6.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -6.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1875 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -7.5875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -7.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -7.9667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -7.9667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -7.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 7 1 0 0 0 0 11 3 2 0 0 0 0 12 4 2 0 0 0 0 13 5 1 0 0 0 0 14 6 1 0 0 0 0 15 14 2 0 0 0 0 16 13 2 0 0 0 0 17 10 1 0 0 0 0 18 10 1 0 0 0 0 19 9 1 0 0 0 0 11 15 1 0 0 0 0 5 8 2 0 0 0 0 12 16 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00150061 > ALDRICH > 77510 > - > - > - > - > 16259139 $$$$ 21 23 0 0 0 0 0 0 0 0 1 V2000 -0.2189 0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2189 -0.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4956 -1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2101 -0.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2101 0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4956 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9245 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3535 0.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9245 1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 -0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3535 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8465 -0.2560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5255 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0678 -0.2279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8508 -0.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 -0.9673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0678 0.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8465 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7823 1.0096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 7 10 1 0 0 0 8 11 2 0 0 0 17 12 1 0 0 0 12 13 1 0 0 0 17 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 13 16 1 0 0 0 15 18 1 0 0 0 17 19 1 0 0 0 13 20 1 0 0 0 18 21 1 0 0 0 21 19 1 0 0 0 21 20 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00035635 > ALDRICH > H9642 > - > - > - > - > 16259139 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -0.3875 -0.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1552 -0.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8027 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0466 0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 1.0590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7109 -0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3831 -0.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 -1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7503 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -1.3947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 1 5 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 1 7 1 0 0 0 6 8 1 0 0 0 7 8 1 0 0 0 5 9 1 0 0 0 4 10 1 6 0 0 1 11 1 1 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00134482 > ALDRICH > 378704 > - > - > - > - > 16259139 $$$$ 26 30 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.7849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.7849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 1.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8861 1.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2986 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8861 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2986 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 1.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 1.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 1.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 8 1 0 3 15 1 0 14 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 15 1 0 16 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 16 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004976 > ALDRICH > 133159 > - > - > - > - > 16259139 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 1 1 0 2 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 2 0 12 13 1 0 13 14 2 0 14 3 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004987 > ALDRICH > 301868 > - > - > - > - > 16259139 $$$$ 23 24 0 0 0 0 0 0 0 0 1 V2000 4.6958 -5.3292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4417 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0458 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2833 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -3.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8333 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6958 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -4.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -7.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 -5.7000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -7.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9833 -3.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -4.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -7.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 5 1 0 0 0 0 10 4 2 0 0 0 0 11 1 1 0 0 0 0 12 10 1 0 0 0 0 13 18 1 0 0 0 0 14 10 1 0 0 0 0 16 11 1 0 0 0 0 17 3 1 0 0 0 0 18 16 1 0 0 0 0 19 6 1 0 0 0 0 20 13 1 0 0 0 0 21 17 2 0 0 0 0 22 21 1 0 0 0 0 23 15 1 0 0 0 0 7 8 1 0 0 0 0 9 12 2 0 0 0 0 22 19 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00242884 > ALDRICH > N1280 > - > - > - > - > 16259139 $$$$ 28 31 0 0 0 0 0 0 0 0 1 V2000 0.6870 0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4735 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 1.9663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0121 1.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1655 0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6273 0.1448 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1971 0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6374 2.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4161 1.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5695 1.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9442 0.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0209 2.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6031 2.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2026 2.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5755 -0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4964 0.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4461 -2.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2677 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7432 -1.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3971 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0259 1.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 2.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5695 1.0131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1584 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1587 1.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3915 -2.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1035 -2.9649 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 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 1 2 0 0 0 4 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 5 1 0 0 0 2 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 3 1 0 0 0 7 15 1 0 0 0 1 16 1 0 0 0 15 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 15 1 0 0 0 16 22 1 0 0 0 22 23 2 0 0 0 22 24 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 19 27 1 0 0 0 27 28 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 24 25 26 M SBL 1 1 27 M SMT 1 N(CH3)2 M SBV 1 27 -4.5487 6.2861 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 1 30 M SMT 2 OCH3 M SBV 2 30 -4.9686 6.1263 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00672645 > SIGMA > M4421 > - > - > - > - > 16259139 $$$$ 26 29 0 0 0 0 0 0 0 0 1 V2000 0.5541 0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 1.9663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 1.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7602 0.1448 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0642 0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7703 2.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 1.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7024 1.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0771 0.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 2.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4702 2.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 2.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4426 -0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3635 0.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 -1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3132 -2.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1348 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6103 -1.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2642 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 1.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6131 2.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7024 1.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2586 -2.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9706 -2.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 1 2 0 0 0 4 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 5 1 0 0 0 2 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 3 1 0 0 0 7 15 1 0 0 0 1 16 1 0 0 0 15 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 15 1 0 0 0 16 22 1 0 0 0 22 23 2 0 0 0 22 24 1 0 0 0 19 25 1 0 0 0 25 26 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 28 M SMT 1 OCH3 M SBV 1 28 -5.1015 6.1263 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00672646 > ALDRICH > M4546 > - > - > - > - > 16259139 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.6202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 7 15 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004988 > ALDRICH > 299634 > - > - > - > - > 16259139 $$$$ 10 12 0 0 0 0 0 0 0 0 1 V2000 -0.5895 -0.1620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2087 -0.6498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5894 -0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -0.1620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2086 -0.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5895 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2074 0.8765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2051 0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 5 8 1 0 0 0 7 9 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 3 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006895 > SIGMA-ALDRICH > H6404 > - > - > - > - > 16259139 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -0.8285 0.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6534 0.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -0.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6676 -1.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8426 -1.3593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4231 -0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4019 -0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8214 0.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4019 0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4231 0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8214 -1.3715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6534 -1.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6534 0.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0064 1.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 1 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 8 1 0 10 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004982 > ALDRICH > 230847 > - > - > - > - > 16259139 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 1 1 0 2 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 2 0 12 13 1 0 13 14 2 0 14 3 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011678 > SIGMA-ALDRICH > 320056 > ALDRICH > 131377 > - > - > 16259139 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 -2.8829 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0579 -0.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6471 -0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0613 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8863 0.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2971 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -0.7120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -0.7120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 0.7140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 0.7140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 -0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2971 0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6519 1.4255 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 -1.4255 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 7 2 0 10 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 4 19 1 0 14 20 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00143998 > ALDRICH > 476838 > - > - > - > - > 16259139 $$$$ 28 32 0 0 0 0 0 0 0 0 1 V2000 -1.6498 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0621 -0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6494 -1.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 -1.4293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4121 -0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8248 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8252 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4124 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 0.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8256 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6506 -1.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0629 -0.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6502 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0603 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0618 -2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 1.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 2.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8861 2.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2982 1.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8861 0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2982 1.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6488 1.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 6 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 8 1 0 14 15 1 0 1 16 1 0 3 17 1 0 12 18 1 0 16 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 16 1 0 15 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004972 > ALDRICH > 140910 > - > - > - > - > 16259139 $$$$ 17 19 0 0 0 0 0 0 0 0 1 V2000 -0.6489 0.1101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1878 0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4396 1.1674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6719 1.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4396 0.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4284 2.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4396 0.7690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2077 1.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2305 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0213 1.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 -1.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4053 -0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6717 -1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6719 -2.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1218 -2.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 5 1 0 2 4 1 0 1 5 1 0 1 6 1 0 4 7 2 0 8 12 1 0 2 9 1 0 2 10 1 0 9 11 1 0 10 12 1 0 6 13 2 0 6 14 1 0 14 15 2 0 13 16 1 0 15 17 1 0 3 4 1 0 8 11 1 0 16 17 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005977 > ALDRICH > 79224 > SIGMA > P4775 > - > - > 16259139 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 4.4819 -2.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4819 -3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0015 -3.4033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 -3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 -2.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0015 -2.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0407 -3.4033 0.0000 Si 0 0 3 0 0 0 0 0 0 0 0 0 6.5604 -3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0407 -4.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD06797091 > ALDRICH > 681490 > - > - > - > - > 16259139 $$$$ 24 26 0 0 0 0 0 0 0 0 1 V2000 -0.7195 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7195 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7094 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7094 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7094 0.2048 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7094 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7195 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7195 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1485 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1485 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7094 2.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8604 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4214 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 2.6784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 0.5600 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 12 1 0 9 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 10 1 0 15 21 1 0 8 22 1 0 18 23 1 0 M CHG 2 8 1 24 -1 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00011757 > SIGMA > D0773 > - > - > - > - > 16259139 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005014 > FLUKA > 77690 > - > - > - > - > 16259139 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -0.7852 0.3943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7852 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1178 0.8793 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.3727 1.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1977 1.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4527 0.8793 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0733 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0733 -1.6639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6387 -0.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3507 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4922 0.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4635 1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 0.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 2 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 3 11 1 0 3 12 1 0 6 13 1 0 6 14 1 0 10 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00043029 > ALDRICH > 87749 > - > - > - > - > 16259139 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.0779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7622 -0.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0779 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7622 0.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7622 0.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0779 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7622 -0.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 1 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00003270 > ALDRICH > H2155 > FLUKA > 51710 > - > - > 16259139 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 6.2167 -4.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -5.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5792 -6.6708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7750 -5.8667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4333 -4.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -6.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -3.2792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2958 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 1 2 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 6 2 0 0 0 0 14 12 1 0 0 0 0 15 12 1 0 0 0 0 16 12 1 0 0 0 0 11 10 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00673779 > ALDRICH > 15515 > - > - > - > - > 16259139 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -0.0124 -1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7309 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9145 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4001 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4249 0.6349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3357 -1.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1241 -1.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3076 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7029 0.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7569 1.3756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3076 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 -1.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3862 -1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9011 -0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 0.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 15 1 0 14 1 1 0 2 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 3 1 0 4 10 2 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005074 > ALDRICH > 154458 > - > - > - > - > 16259139 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -2.4994 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 9 1 0 0 0 13 15 1 0 0 0 12 16 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00160693 > ALDRICH > 661376 > - > - > - > - > 16259139 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -0.9993 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2512 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5818 -1.0653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 -0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1743 0.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5537 0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6119 -0.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0575 -0.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8913 -0.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -0.1308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3753 0.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8974 1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 0.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 1 1 0 0 0 1 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 2 1 0 0 0 4 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 5 1 0 0 0 14 12 1 0 0 0 15 14 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00055074 > ALDRICH > E004 > - > - > - > - > 16259139 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -0.8437 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4887 0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 0.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -0.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4887 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8437 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1292 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1292 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6971 -0.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5221 -0.4625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 0.4829 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 0.4829 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 1 11 1 0 0 0 1 7 1 0 0 0 12 13 1 0 0 0 14 15 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00191982 > ALDRICH > 402508 > - > - > - > - > 16259139 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 2.6594 -1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9594 -0.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 -0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0594 -0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7594 -0.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0594 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5594 -0.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 -0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5594 0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9594 0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 -1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4594 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7594 -0.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4594 -0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7594 0.4484 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7594 0.4484 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 3 1 0 0 0 0 7 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 8 1 0 0 0 0 14 15 1 0 0 0 0 4 16 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00233882 > ALDRICH > 678015 > - > - > - > - > 16259139 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.4833 -0.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1001 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1001 0.8750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 0.8750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3522 -0.4284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -0.0159 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 1 1 0 0 0 3 5 1 0 0 0 3 6 1 0 0 0 7 8 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 7 8 M SMT 1 • HCl M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD05663714 > ALDRICH > 665584 > - > - > - > - > 16259139 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.0235 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0235 -0.0160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 1.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 3 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00055389 > ALDRICH > 690147 > - > - > - > - > 16259139 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -0.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -0.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 5 6 2 0 2 7 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005225 > ALDRICH > U2601 > - > - > - > - > 16259139 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00039727 > ALDRICH > 673218 > - > - > - > - > 16259139 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 1 1 0 2 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 2 0 12 13 1 0 13 14 2 0 14 3 1 0 10 15 1 0 11 16 1 0 4 17 1 0 5 18 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004974 > ALDRICH > 162884 > - > - > - > - > 16259139 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 0.3542 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 1.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 5 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 12 1 0 0 0 0 15 11 2 0 0 0 0 10 14 2 0 0 0 0 5 6 1 0 0 0 0 13 15 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00455733 > ALDRICH > 631507 > - > - > - > - > 16259139 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -0.0064 -0.2856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0064 -1.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7369 0.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9204 0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4061 1.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 1.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7497 0.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3416 -0.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -0.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3136 0.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7088 1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7302 1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3136 0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3031 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7056 -1.5217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 -1.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 1 1 0 3 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 4 1 0 7 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 8 2 0 2 17 1 0 2 18 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005072 > ALDRICH > 195421 > - > - > - > - > 16259139 $$$$ 19 21 0 0 0 1 V2000 0.8621 0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 1.7103 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4690 0.5103 0.0000 N 0 0 0 0 0 0 0 0 0 1.4552 -1.0207 0.0000 C 0 0 0 0 0 0 0 0 0 3.0517 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 1.2172 2.5345 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5345 -0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0.8621 -2.2483 0.0000 C 0 0 0 0 0 0 0 0 0 3.9000 2.1276 0.0000 C 0 0 0 0 0 0 0 0 0 3.5241 -0.2103 0.0000 O 0 0 0 0 0 0 0 0 0 2.0621 3.5931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5345 -1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7172 0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4690 -2.5586 0.0000 N 0 0 0 0 0 0 0 0 0 1.7000 -3.3448 0.0000 O 0 0 0 0 0 0 0 0 0 3.4034 3.3897 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7172 -2.3862 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9000 -0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9000 -1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 2 0 0 0 5 10 1 0 0 0 6 11 1 0 0 0 7 12 2 0 0 0 7 13 1 0 0 0 8 14 1 0 0 0 8 15 2 0 0 0 9 16 1 0 0 0 12 17 1 0 0 0 13 18 2 0 0 0 17 19 2 0 0 0 11 16 2 0 0 0 12 14 1 0 0 0 18 19 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01961197 > ALDRICH > 550280 > - > - > - > - > 16259139 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 0.4107 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4143 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8268 0.7158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.7158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8268 -0.7143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4143 -1.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 -1.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.7143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6518 0.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6518 -0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2393 1.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -1.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 13 1 0 4 12 1 0 3 9 1 0 9 10 1 0 10 11 1 0 5 11 1 0 14 12 1 0 13 14 1 0 3 15 1 0 8 16 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03427012 > ALDRICH > 526169 > - > - > - > - > 16259139 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 3.8960 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4156 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9352 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9352 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4156 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4043 -4.6116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9893 -4.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2496 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9893 -3.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4043 -3.2634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3844 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9844 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0844 -2.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3844 -2.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9844 -2.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2844 -2.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0854 -1.3572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2833 -3.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3621 -4.9456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 13 1 0 0 0 0 10 15 1 0 0 0 0 12 18 1 0 0 0 0 16 19 1 0 0 0 0 8 20 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03070537 > ALDRICH > 543845 > - > - > - > - > 16259139 $$$$ 15 18 0 0 0 0 0 0 0 0 1 V2000 0.4125 0.7167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4125 0.7167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 2 0 0 0 0 8 7 1 0 0 0 0 9 6 2 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 14 1 0 0 0 0 14 11 2 0 0 0 0 15 10 1 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 15 12 2 0 0 0 0 8 13 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04039972 > ALDRICH > 578789 > - > - > - > - > 16259139 $$$$ 20 16 0 0 0 0 0 0 0 0 1 V2000 9.0833 -6.7750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2583 -6.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -6.7750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -6.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -8.9625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -8.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -4.5542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -4.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3398 -6.8082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2052 -7.8682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2310 -5.5991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0707 -6.7565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7923 -5.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2972 -8.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1363 -5.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6439 -7.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7438 -7.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0618 -8.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3229 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6439 -5.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 1 2 1 0 0 0 0 7 8 1 0 0 0 0 3 4 1 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 9 17 1 0 0 0 0 17 18 1 0 0 0 0 11 19 1 0 0 0 0 19 20 1 0 0 0 0 12 20 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00068484 > ALDRICH > 433349 > - > - > - > - > 16259139 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 1 1 0 2 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 2 0 12 13 1 0 13 14 2 0 14 3 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004971 > ALDRICH > 301841 > - > - > - > - > 16259139 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 10 11 2 0 7 12 2 0 6 13 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006890 > ALDRICH > 123072 > - > - > - > - > 16259139 $$$$ 20 22 0 0 0 0 0 0 0 0 1 V2000 -5.0115 -0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0115 -1.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4205 -1.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4135 -0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2525 -2.8699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2114 -2.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8684 -1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2244 0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2365 0.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 -3.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5234 0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1214 0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1214 2.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 3.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5234 2.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -1.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 4.6589 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD03701516 > ALDRICH > 550299 > - > - > - > - > 16259139 $$$$ 19 22 0 0 0 0 0 0 0 0 1 V2000 -0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.9959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.9959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4248 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4248 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1368 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1368 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 1 1 0 1 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 2 1 0 5 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 6 1 0 4 17 1 0 8 17 1 0 11 18 1 0 15 19 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00134397 > ALDRICH > 132225 > - > - > - > - > 16259139 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.1471 1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6779 1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1923 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0087 -0.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2654 -0.4653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4779 -0.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6614 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1923 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1923 -1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 1 1 0 6 8 1 0 8 9 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 8 M SMT 1 OCH3 M SBV 1 8 -0.7145 0.4125 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006938 > ALDRICH > A95804 > - > - > - > - > 16259139 $$$$ 25 26 0 0 0 0 0 0 0 0 1 V2000 7.0311 -2.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5129 -2.6255 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0284 -1.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5521 -2.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9919 -2.3279 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4977 -2.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9235 -2.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7018 -1.9363 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9995 -1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5924 -1.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0340 -1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5156 -3.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0365 -3.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0392 -4.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5210 -4.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -4.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9973 -3.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5237 -5.0255 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.1033 -1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8405 -1.3548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7676 -2.3914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 -2.3493 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2112 -1.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1269 -2.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5705 -2.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 5 11 1 0 0 0 0 8 19 1 0 0 0 0 2 5 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 15 18 1 0 0 0 0 2 12 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 G 19 8 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 19 20 21 22 23 24 25 M SBL 1 1 5 M SMT 1 Boc M SBV 1 5 0.6000 -0.0400 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD07776864 > ALDRICH > 666076 > - > - > - > - > 16259139 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.2833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9292 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 -1.5208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7167 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1375 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 4 2 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 12 2 0 0 0 0 16 11 2 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 6 5 2 0 0 0 0 17 14 2 0 0 0 0 13 18 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00792462 > ALDRICH > 548644 > - > - > - > - > 16259139 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.4904 -0.9924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4904 0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4904 0.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2736 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 2 4 1 0 0 0 1 5 1 0 0 0 5 2 1 0 0 0 6 7 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 6 7 M SMT 1 • HCl M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD02683887 > ALDRICH > 680079 > - > - > - > - > 16259139 $$$$ 15 17 0 0 0 0 0 0 0 0 1 V2000 -1.6507 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0618 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6493 -1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8243 -1.4278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8257 -0.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4118 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8243 -0.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4118 0.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 0.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8243 -1.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0618 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 -0.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 1.4292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 6 10 1 0 7 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 8 14 1 0 10 15 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004980 > ALDRICH > 301779 > - > - > - > - > 16259139 $$$$ 19 20 0 0 0 0 0 0 0 0 1 V2000 3.9500 -7.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -7.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3876 -5.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2001 -5.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 -6.1720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5896 -6.1863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6020 -4.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9937 -4.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1689 -6.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 -6.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2124 -4.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3999 -4.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 -4.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1812 -4.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7585 -5.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -5.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -6.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8166 -6.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 5 4 2 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 6 2 0 0 0 0 11 7 2 0 0 0 0 12 13 1 0 0 0 0 13 9 2 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 15 2 0 0 0 0 17 14 2 0 0 0 0 18 10 1 0 0 0 0 19 11 1 0 0 0 0 16 10 1 0 0 0 0 12 8 2 0 0 0 0 17 11 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00149306 > ALDRICH > 121908 > - > - > - > - > 16259139 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -0.5083 0.4708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.6583 0.4708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2417 -0.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 1.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 1.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 1 1 0 0 0 0 9 4 2 0 0 0 0 10 8 2 0 0 0 0 11 8 1 0 0 0 0 12 11 2 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 4 3 1 0 0 0 0 14 13 2 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00272351 > ALDRICH > 498319 > - > - > - > - > 16259139 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 10 15 1 0 7 16 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00092904 > ALDRICH > 395013 > - > - > - > - > 16259139 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4744 -0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7715 1.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9645 1.3538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 1.3538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7715 1.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 -0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 2 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 3 1 0 4 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 5 1 0 1 14 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00046892 > ALDRICH > 379344 > - > - > - > - > 16259139 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00043003 > FLUKA > 90605 > - > - > - > - > 16259139 $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 0.0002 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7849 -0.6671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7843 0.6678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7849 0.6671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7843 -0.6678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -0.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 0.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 1 1 0 7 9 2 0 3 10 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005539 > ALDRICH > G7305 > - > - > - > - > 16259139 $$$$ 4 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.5834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 1 1 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005165 > ALDRICH > 281069 > FLUKA > 92457 > - > - > 16259139 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -0.8758 1.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1214 0.4571 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 -0.0199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2133 0.4729 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0509 1.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9278 0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7967 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7048 1.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7048 -0.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4386 -0.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2759 -1.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9903 -0.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7048 -1.2545 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 4 6 1 0 4 7 1 0 2 8 1 0 2 9 1 0 3 10 1 0 11 10 1 0 12 11 1 0 13 12 1 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00274342 > ALDRICH > 459739 > - > - > - > - > 16259139 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.0622 1.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6455 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0622 0.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5212 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0622 2.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3971 -0.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1843 -1.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 -1.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9784 -1.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0285 -2.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1843 -0.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9784 -0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 1 1 0 1 5 1 0 3 11 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 11 12 2 0 6 11 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 6 7 8 9 10 11 12 M SBL 1 1 6 M SMT 1 Boc M SBV 1 6 0.1221 0.9276 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD04115305 > ALDRICH > 694347 > - > - > - > - > 16259139 $$$$ 27 31 0 0 0 0 0 0 0 0 1 V2000 -2.5006 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 2.4750 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 7 15 2 0 15 16 1 0 16 17 1 0 17 11 1 0 18 19 1 0 19 15 1 0 18 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 19 2 0 10 24 2 0 14 25 1 0 12 26 1 0 16 27 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00010031 > ALDRICH > 257273 > - > - > - > - > 16259139 $$$$ 16 18 0 0 0 0 0 0 0 0 1 V2000 0.4067 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4069 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4069 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8051 0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8022 0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8051 -1.4082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8022 -1.4082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8051 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8022 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6187 0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6158 0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6187 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6158 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0341 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0341 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 3 5 2 0 3 4 1 0 1 5 1 0 2 6 1 0 1 7 1 0 2 8 1 0 3 9 1 0 4 10 1 0 5 11 1 0 6 12 1 0 7 13 2 0 8 14 2 0 13 15 1 0 14 16 1 0 6 4 2 0 11 15 2 0 12 16 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00004983 > ALDRICH > 301817 > - > - > - > - > 16259139 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -0.6234 -0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3911 -0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2825 0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6234 1.4865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 0.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1473 -0.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9194 -1.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3911 -1.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1657 1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 1.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 -0.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 1 5 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 1 7 1 0 0 0 6 8 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 5 10 1 0 0 0 4 11 1 1 0 0 1 12 1 6 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00005549 > FLUKA > 93552 > - > - > - > - > 16259139 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 5.0568 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6085 -2.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0071 -2.8391 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4555 -2.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0919 -1.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1282 -3.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6814 -3.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6957 -3.6151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8163 -4.2007 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2994 -4.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4279 -4.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0019 -4.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 1 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD01861741 > ALDRICH > 696315 > - > - > - > - > 16259139 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 0.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 2 0 4 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 2 0 10 11 1 0 9 12 1 0 2 13 1 0 12 14 1 0 12 15 2 0 M END > (C) 2009 SIGMA-ALDRICH CO. > MFCD00006733 > ALDRICH > 700088 > - > - > - > - > 16259139 $$$$