8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -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 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.8208 0.0000 Cl 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 6 2 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 5 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD05664381 > A > 632996 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -1.8414 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5534 0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.2361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7284 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7284 1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 5 1 0 1 11 1 0 10 12 1 0 9 13 1 0 13 14 2 0 13 15 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00084992 > A > 548944 > - > - > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4292 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00154089 > A > 556335 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.3585 0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.6479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.6479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 2 7 1 0 4 8 1 0 4 9 1 0 7 10 1 0 7 11 2 0 6 12 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006575 > A > 195723 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 1 0 7 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00075264 > A > 343455 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 1 0 7 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006622 > A > 306371 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 0.7708 -0.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.5250 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6542 -0.1125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6667 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6958 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6542 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 5 1 0 0 0 0 13 14 1 0 0 0 0 14 12 1 0 0 0 0 6 7 1 0 0 0 0 11 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD01321375 > A > 481831 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -2.5559 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 7 4 1 0 8 7 1 0 9 8 1 0 10 9 1 0 10 11 3 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00012352 > A > 305863 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00023846 > A > 466913 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 2 1 0 4 7 2 0 1 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00012357 > A > 305421 > - > - > - > - $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -3.5711 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5711 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8566 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 -0.4111 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD01863614 > A > 497185 > - > - > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7132 0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -1.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -1.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 1.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2966 -1.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 2 0 4 7 2 0 6 8 1 0 2 9 1 0 2 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00010696 > A > 288330 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -2.4982 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.4111 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7862 0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 -0.8221 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 1 0 8 7 1 0 9 8 1 0 9 10 1 0 10 11 2 0 10 12 1 0 M CHG 2 10 1 12 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 10 11 12 M SBL 1 1 10 M SMT 1 NO2 M SBV 1 10 -3.2391 2.3891 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00010858 > A > 296740 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.7125 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7125 -0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD01321374 > A > 480894 > - > - > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 8 6 1 0 9 8 1 0 4 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006640 > A > 154288 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 11 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00091551 > A > 477818 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -2.5113 0.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 -0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5587 -1.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6061 -0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6061 0.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5587 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4522 -1.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 -0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5113 -1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 1 0 8 7 1 0 9 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006561 > A > 159743 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 4 8 2 0 2 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00012356 > A > 309680 > - > - > - > - $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 0.8790 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5935 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5935 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -0.4118 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6965 0.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6965 -1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 2 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00134551 > A > 381748 > - > - > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -0.3572 0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1978 -1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0383 -0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0383 0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1978 0.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -1.3817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3239 -0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3239 0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 0.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7505 0.4853 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 1.3817 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7505 0.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 1.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 1 1 0 5 11 1 0 10 12 1 0 9 13 1 0 13 14 1 0 13 15 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00084953 > A > 543721 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.7875 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.2083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3583 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 9 2 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 10 11 1 0 0 0 0 14 13 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD03427134 > A > 553409 > - > - > - > - $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 0.7125 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 1.0333 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 2 0 0 0 0 8 1 1 0 0 0 0 9 4 2 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 15 2 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 3 6 1 0 0 0 0 18 17 2 0 0 0 0 12 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD02683542 > A > 525561 > - > - > - > - $$$$ 21 23 0 0 0 0 0 0 0 0 1 V2000 -0.3425 0.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3425 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9565 -2.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9565 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6415 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9404 0.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9404 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6415 -2.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9565 2.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5544 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8534 0.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1524 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1524 2.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8534 3.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5544 2.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2395 -2.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5384 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8374 -2.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5384 0.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00221719 > A > 381551 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 1 0 7 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00010116 > A > 262579 > - > - > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 1 0 5 7 1 0 6 8 2 0 9 4 1 0 10 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00059795 > A > 412929 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 1.7874 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 4 1 0 0 0 8 7 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 8 1 0 0 0 2 14 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00094009 > A > 532827 > - > - > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 6 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00074911 > A > 330655 > - > - > - > - $$$$ 21 22 0 0 0 0 0 0 0 0 1 V2000 -0.7695 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7695 -1.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0551 -2.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 -1.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0551 -0.7194 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0551 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0551 1.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7695 1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7695 0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 -2.3679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4815 -2.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4815 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1935 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4815 0.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1935 -0.7208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 2.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0129 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 4 13 1 0 0 0 0 2 14 1 0 0 0 0 1 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 5 18 1 0 0 0 0 10 20 1 0 0 0 0 1 2 2 0 0 0 0 18 19 3 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 20 21 1 0 0 0 0 G 18 5 CN G 20 10 OCH3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 2 18 19 M SBL 1 1 16 M SMT 1 CN M SBV 1 16 -0.7200 -0.4100 M SAL 2 2 20 21 M SBL 2 1 17 M SMT 2 OCH3 M SBV 2 17 -0.3600 -0.6200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00274263 > A > 451479 > - > - > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -0.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 -0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD01321310 > A > 475394 > F > 08701 > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -2.1397 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 3 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006604 > A > 300810 > - > - > - > - $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 1.4937 -3.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4937 -4.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2081 -4.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9226 -4.4590 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9226 -3.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2081 -3.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6438 -4.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9318 -5.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2198 -4.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5078 -5.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 -4.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0838 -5.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6282 -4.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3402 -5.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 -4.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 G 7 4 OCH2(CH2)6CH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 9 7 8 9 10 11 12 13 14 15 M SBL 1 1 7 M SMT 1 OCH2(CH2)6CH3 M SBV 1 7 -0.7200 0.4200 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD03427136 > A > 553611 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 2.0875 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -0.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7708 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9167 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 3 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 11 12 1 0 0 0 0 12 8 1 0 0 0 0 7 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00792655 > A > 563668 > - > - > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006639 > A > 463159 > F > 83193 > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 1 0 6 7 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006576 > A > 177229 > F > 83195 > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4354 -0.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7104 -0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 -0.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1343 -0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7104 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1343 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4354 0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7048 -0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 -0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1343 -0.4011 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 2 5 1 0 4 6 1 0 6 7 1 0 5 7 1 0 3 8 1 0 8 9 1 0 9 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00142761 > F > 23021 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.7854 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 -0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0709 -1.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3564 -0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0709 0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3564 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 0.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7854 0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 1.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -1.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 6 1 0 6 5 2 0 5 1 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 2 0 4 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00075443 > A > 359475 > F > 83197 > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 2.2083 -4.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -4.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7833 -4.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -4.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0708 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 10 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00185588 > F > 87477 > - > - > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00010439 > A > 262102 > F > 37359 > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 4.9879 -6.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9879 -7.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7012 -7.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4199 -7.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4199 -6.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7012 -5.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -5.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4163 -4.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 1 2 1 0 0 0 0 7 8 1 0 0 0 0 G 7 6 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 7 8 M SBL 1 1 6 M SDI 1 4 5.9000 -5.3500 5.4900 -5.3500 M SMT 1 OCH3 M SBV 1 6 0.0000 -0.8300 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006570 > A > 189170 > F > 37310 > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3560 1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0579 1.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.1863 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0579 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3459 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0579 -0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3459 -0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3459 1.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0579 1.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 1 4 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 3 6 1 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 9 10 1 0 0 0 0 G 9 1 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 8 M SMT 1 OCH3 M SBV 1 8 -0.7000 -0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD01075170 > F > 40199 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.4277 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 1 0 7 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006560 > A > 180734 > - > - > - > - $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 5.1632 -6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1632 -7.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9618 -7.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7560 -7.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7560 -6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9618 -5.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9618 -4.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0572 -7.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -7.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4907 -7.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4907 -8.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4593 -7.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4593 -8.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 2 0 0 0 0 12 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 13 2 0 0 0 0 4 12 1 0 0 0 0 2 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006577 > A > 382272 > F > 22500 > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 1 0 7 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006624 > A > T14605 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 2 0 6 8 1 0 2 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006641 > F > 55850 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.0025 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -1.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 4 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00010120 > A > 261432 > - > - > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3572 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 2 0 1 8 1 0 8 9 1 0 8 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006644 > A > C85409 > F > 28130 > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 5 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00010118 > A > 269263 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 1 0 2 7 1 0 4 8 1 0 6 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006579 > F > 41567 > - > - > - > - $$$$ 8 8 0 0 0 1 V2000 0.5724 0.2793 0.0000 C 0 0 3 0 0 0 0 0 0 0.1621 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3897 1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 1.9724 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2517 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7931 1.0207 0.0000 C 0 0 0 0 0 0 0 0 0 2.9552 -0.4345 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2241 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 6 8 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00051507 > F > 55665 > - > - > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 4.8561 -2.2466 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5717 -2.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1444 -2.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8561 -3.9008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1444 -3.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5717 -3.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 -1.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2686 -1.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4398 -1.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6122 -1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 2 6 1 0 0 0 0 4 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 1 2 1 0 0 0 0 7 8 1 0 0 0 0 1 3 1 0 0 0 0 4 5 1 0 0 0 0 9 10 1 0 0 0 0 G 7 1 OCH3 G 9 1 OCH3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 2 7 8 M SBL 1 1 4 M SDI 1 4 5.4100 -1.9000 5.0900 -1.6300 M SMT 1 OCH3 M SBV 1 4 -0.6000 -0.7200 M SAL 2 2 9 10 M SBL 2 1 5 M SDI 2 4 4.7500 -1.6500 4.3900 -1.8600 M SMT 2 OCH3 M SBV 2 5 0.4200 -0.7200 M SDS EXP 2 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00040530 > F > 38816 > - > - > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 6 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006633 > A > 198234 > F > 87474 > - > - $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -0.7119 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 -1.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 1.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 1 6 1 0 6 7 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006581 > A > 198242 > F > 87475 > - > - $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 3.6408 -5.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6408 -6.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1604 -6.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 -6.2771 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6800 -5.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1604 -5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2027 -6.5802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6849 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1671 -6.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6492 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 -6.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6136 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 -6.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5803 -6.8792 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 G 7 4 OCH2(CH2)4CH2Br M STY 1 1 SUP M SLB 1 1 1 M SAL 1 8 7 8 9 10 11 12 13 14 M SBL 1 1 7 M SMT 1 OCH2(CH2)4CH2Br M SBV 1 7 -0.5300 0.3000 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00057971 > A > 528692 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.1054 -7.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1054 -8.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -8.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5363 -8.1646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5363 -7.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -6.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 -8.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -8.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -8.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -8.5917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 1 2 1 0 0 0 0 8 9 1 0 0 0 0 2 3 1 0 0 0 0 9 10 1 0 0 0 0 3 4 1 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00058593 > A > 415979 > F > 18250 > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 1 0 1 7 1 0 6 8 2 0 4 9 1 0 9 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006580 > F > 60890 > - > - > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 1 0 4 7 1 0 5 8 1 0 6 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16262236 > MFCD00006578 > F > 55849 > - > - > - > - $$$$