13 14 0 0 0 0 0 0 0 0 1 V2000 0.3501 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3519 0.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0782 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0782 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3519 -0.8699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3501 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3088 1.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0431 2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7818 2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0259 1.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3457 -1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0782 -1.6789 0.0000 O 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 2 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 2 1 0 0 0 5 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD07784370 > A > 655775 > - > - > - > - $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -1.4265 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 3 7 1 0 7 8 1 0 7 9 2 0 8 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 5 14 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD01631193 > A > 650811 > - > - > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 3 7 1 0 4 8 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00006555 > A > M73788 > F > 68876 > - > - $$$$ 19 18 0 0 0 0 0 0 0 0 1 V2000 3.6125 -4.8083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3292 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6083 -5.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0458 -3.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -3.9625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 -6.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0333 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -5.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -5.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -3.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 11 3 1 0 0 0 0 12 8 1 0 0 0 0 13 8 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 15 1 0 0 0 0 17 10 1 0 0 0 0 18 10 1 0 0 0 0 19 6 1 0 0 0 0 9 11 1 0 0 0 0 16 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00150096 > A > 153117 > F > 13833 > - > - $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0100 -0.7993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 1.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 -0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -1.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 3 6 1 0 4 7 1 0 2 5 2 0 1 6 1 0 1 7 1 0 1 8 1 0 2 3 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00006191 > A > 130036 > F > 68880 > - > - $$$$ 10 11 0 0 0 1 V2000 0.3276 0.0483 0.0000 C 0 0 3 0 0 0 0 0 0 -0.3862 1.2862 0.0000 C 0 0 0 0 0 0 0 0 0 1.1724 -1.1103 0.0000 N 0 0 0 0 0 0 0 0 0 1.1724 1.2034 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3862 -1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8172 1.2862 0.0000 C 0 0 0 0 0 0 0 0 0 2.5345 -0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 2.5345 0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8172 -1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5345 0.0483 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 6 10 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00128181 > A > 555800 > - > - > - > - $$$$ 20 20 0 0 0 0 0 0 0 0 1 V2000 6.4000 -6.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -6.4625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5641 -4.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5641 -5.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2785 -6.1840 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9930 -5.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9930 -4.9465 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2785 -4.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2785 -3.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7050 -4.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7050 -3.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 -4.9465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1290 -4.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2785 -7.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5666 -7.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8521 -7.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1376 -7.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1376 -8.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8521 -8.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5666 -8.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 8 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00012799 > A > 227005 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 0.3542 0.4083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0750 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7917 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7917 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 12 9 2 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 11 7 1 0 0 0 0 13 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00464162 > A > 496898 > - > - > - > - $$$$ 12 12 0 0 0 1 V2000 -1.2379 0.2724 0.0000 C 0 0 3 0 0 0 0 0 0 0.0000 0.9862 0.0000 N 0 0 3 0 0 0 0 0 0 -1.2379 -1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6724 0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9586 1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 1.2414 0.2724 0.0000 C 0 0 3 0 0 0 0 0 0 0.0000 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 -1.8793 0.0000 C 0 0 0 0 0 0 0 0 0 1.2414 -1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 1.9586 1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 2.6724 0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 -3.3138 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 6 9 1 0 0 0 6 10 1 0 0 0 6 11 1 0 0 0 8 12 2 0 0 0 8 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00234684 > A > 536903 > - > - > - > - $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7246 0.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7246 -0.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 -1.1521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7044 -0.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7044 0.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 -0.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2877 -1.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3079 -1.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 -0.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 1.3229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 4 7 1 0 4 8 1 0 2 9 1 0 2 10 1 0 6 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00005975 > A > 459119 > - > - > - > - $$$$ 12 10 0 0 0 0 0 0 0 0 1 V2000 8.5208 -5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -5.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 -4.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 -5.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7197 -5.9940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4342 -5.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4342 -4.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7197 -4.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7197 -3.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1708 -4.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8833 -4.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -4.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00012776 > A > 151769 > F > 80800 > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 7 1 1 0 8 7 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 8 1 0 7 14 2 0 11 15 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00006189 > A > 107328 > - > - > - > - $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 8.0250 -6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -6.5250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6506 -5.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6506 -5.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 -6.2501 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0795 -5.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0795 -5.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 -4.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 -7.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0770 -7.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7915 -4.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 7 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00012793 > A > 130486 > - > - > - > - $$$$ 11 11 0 0 0 1 V2000 -0.4000 -0.3552 0.0000 N 0 0 3 0 0 0 0 0 0 0.7069 0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5069 0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4000 -1.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0.7069 1.5690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5069 1.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0.7000 -2.2621 0.0000 C 0 0 3 0 0 0 0 0 0 -0.4000 2.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0.7000 -3.5517 0.0000 C 0 0 0 0 0 0 0 0 0 1.7828 -1.6034 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4000 3.4862 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 8 11 2 0 0 0 6 8 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00190595 > A > 553190 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.4833 0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.3817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1978 -0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1978 0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1955 -1.3076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.3817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9099 -1.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 0.4866 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1978 1.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9099 0.0755 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 2 7 2 0 0 0 0 6 8 1 0 0 0 0 4 9 1 0 0 0 0 1 10 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 G 10 1 NO2 M CHG 2 10 1 12 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 10 11 12 M SBL 1 1 8 M SMT 1 NO2 M SBV 1 8 -0.7200 -0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00167612 > A > 529001 > - > - > - > - $$$$ 16 17 0 0 0 1 V2000 -0.4138 0.1552 0.0000 C 0 0 3 0 0 0 0 0 0 0.1828 -1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0.6310 1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4759 -0.6655 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8207 1.4517 0.0000 O 0 0 0 0 0 0 0 0 0 1.5552 -1.3828 0.0000 C 0 0 3 0 0 0 0 0 0 1.9793 0.8621 0.0000 C 0 0 3 0 0 0 0 0 0 -2.5655 0.1379 0.0000 C 0 0 3 0 0 0 0 0 0 -2.1690 1.4517 0.0000 C 0 0 0 0 0 0 0 0 0 2.5379 -0.4517 0.0000 N 0 0 0 0 0 0 0 0 0 2.5552 -2.5138 0.0000 C 0 0 0 0 0 0 0 0 0 1.0207 -2.8172 0.0000 C 0 0 0 0 0 0 0 0 0 2.2897 2.2448 0.0000 C 0 0 0 0 0 0 0 0 0 3.5414 1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8966 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 -4.9655 0.5690 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 6 10 1 0 0 0 6 11 1 0 0 0 6 12 1 0 0 0 7 13 1 0 0 0 7 14 1 0 0 0 8 15 1 0 0 0 15 16 1 0 0 0 7 10 1 0 0 0 8 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00134346 > A > 370002 > - > - > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3561 -0.9706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4845 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4845 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1966 0.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1966 -0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3561 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3561 1.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3561 -1.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 1 5 1 0 4 8 1 0 8 3 1 0 2 3 2 0 4 5 2 0 4 6 1 0 5 7 1 0 8 9 2 0 1 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00134497 > A > 379409 > - > - > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 3 7 1 0 7 8 1 0 8 9 1 0 6 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00010433 > A > 279498 > - > - > - > - $$$$ 21 21 0 0 0 0 0 0 0 0 1 V2000 6.4000 -6.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -6.4625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5641 -4.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5641 -5.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2785 -6.1840 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9930 -5.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9930 -4.9465 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2785 -4.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2785 -3.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7050 -4.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7050 -3.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 -4.9465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1290 -4.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2785 -7.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5666 -7.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8521 -7.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1376 -7.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1376 -8.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8521 -8.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5666 -8.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -4.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 8 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 13 21 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00012800 > A > 495972 > - > - > - > - $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.4331 1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7155 -0.0018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7197 1.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7134 -0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7197 -2.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7155 -0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7242 2.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 7 3 1 0 8 7 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 14 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00006192 > A > B29806 > F > 13830 > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.0001 -0.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -1.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6904 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7336 -1.7676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6904 -1.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3838 -0.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 0.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6933 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 -1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 -0.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 1.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 4 1 0 2 5 2 0 3 6 2 0 3 7 1 0 1 8 1 0 9 11 1 0 7 10 1 0 8 11 1 0 10 12 1 0 4 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00006038 > A > C5505 > F > 02635 > - > - $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 6.8917 -4.9334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -4.9417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -4.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4375 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0083 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0083 -5.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -3.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0083 -3.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 4 3 1 0 0 0 0 5 3 1 0 0 0 0 6 9 1 0 0 0 0 7 4 2 0 0 0 0 8 5 2 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 4 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 6 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00012769 > F > 64944 > - > - > - > - $$$$ 21 21 0 0 0 0 0 0 0 0 1 V2000 5.1208 -7.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 -7.8708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3378 -6.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3378 -7.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0522 -7.5938 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7667 -7.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -6.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0522 -5.9438 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0522 -8.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -8.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -9.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4812 -10.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1956 -9.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1956 -8.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4812 -8.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4787 -5.9452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0522 -5.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -4.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4812 -5.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1956 -4.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3402 -4.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 7 16 2 0 0 0 0 8 17 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 17 21 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00012792 > A > 143200 > - > - > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 6 7 2 0 3 8 1 0 9 8 1 0 10 9 1 0 11 10 1 0 8 12 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00006188 > A > 153737 > F > 02614 > - > - $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 3 7 1 0 7 8 1 0 7 9 2 0 6 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00006190 > A > 388254 > F > 01415 > - > - $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0015 -0.6059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7004 0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 1.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7004 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 -1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 -1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 3 6 1 0 4 7 1 0 2 5 2 0 1 6 1 0 1 7 1 0 1 8 1 0 8 9 1 0 2 3 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00013356 > A > 279501 > F > 46097 > - > - $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 3 7 1 0 8 7 1 0 9 8 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 6 15 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00006193 > A > 131385 > F > 77997 > - > - $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 4.7542 -5.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4042 -5.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -5.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -7.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -5.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -5.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 9 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 4 8 1 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD03791123 > F > 94532 > - > - > - > - $$$$ 17 18 0 0 0 1 V2000 -1.5483 0.5310 0.0000 N 0 0 3 0 0 0 0 0 0 -1.5483 -0.6414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5310 1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5759 1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5414 -1.2138 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5655 -1.2345 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5310 2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5759 2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0.4655 -0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5483 2.9034 0.0000 C 0 0 0 0 0 0 0 0 0 1.4828 -1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5483 4.0862 0.0000 O 0 0 0 0 0 0 0 0 0 1.4828 -2.3655 0.0000 C 0 0 0 0 0 0 0 0 0 2.5000 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.5103 -2.9621 0.0000 C 0 0 0 0 0 0 0 0 0 3.5276 -1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 3.5379 -2.3655 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 7 10 1 0 0 0 9 11 1 0 0 0 10 12 2 0 0 0 11 13 2 0 0 0 11 14 1 0 0 0 13 15 1 0 0 0 14 16 2 0 0 0 15 17 2 0 0 0 8 10 1 0 0 0 16 17 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00673144 > A > 464643 > - > - > - > - $$$$ 10 11 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 1 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00005976 > A > 178365 > F > 42498 > - > - $$$$ 14 14 0 0 0 1 V2000 -1.6483 -1.5724 0.0000 C 0 0 3 0 0 0 0 0 0 -0.4517 -2.3724 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9103 -2.1966 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8517 -0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2724 -0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0.7690 -1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0.7690 -0.2862 0.0000 N 0 0 3 0 0 0 0 0 0 1.9793 -2.5034 0.0000 O 0 0 0 0 0 0 0 0 0 2.0207 0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4793 0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 2.0207 1.8931 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4793 1.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0.7690 2.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0.7690 4.0724 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 1 0 0 0 6 7 1 0 0 0 6 8 2 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 9 11 1 0 0 0 10 12 1 0 0 0 11 13 1 0 0 0 13 14 2 0 0 0 12 13 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00151800 > A > 461350 > F > 15519 > - > - $$$$ 24 27 0 0 0 0 0 0 0 0 1 V2000 5.8937 -9.3166 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2032 -8.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6272 -8.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8937 -7.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6272 -8.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2032 -8.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8937 -6.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8673 -8.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4562 -9.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0064 -10.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7575 -9.7097 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6716 -8.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2217 -8.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9676 -7.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1634 -7.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6132 -7.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 -9.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3978 -10.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -10.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7523 -10.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4696 -10.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1816 -9.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8937 -10.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6058 -9.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 6 1 0 0 0 0 1 23 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 4 5 1 0 0 0 0 3 5 1 0 0 0 0 2 6 1 0 0 0 0 4 7 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 8 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 G 23 1 Fmoc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 M SAL 1 2 23 24 M SBL 1 1 2 M SMT 1 Fmoc M SBV 1 2 0.0000 0.8000 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00673794 > F > 47555 > - > - > - > - $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 6.8917 -4.9334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -4.9417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -6.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -6.0333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8917 -6.0333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1792 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -3.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6583 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -6.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -6.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 4 3 1 0 0 0 0 5 3 1 0 0 0 0 6 7 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 6 2 0 0 0 0 10 4 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 5 1 0 0 0 0 8 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD00012768 > A > 115762 > F > 87910 > - > - $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 5.4541 -3.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2201 -4.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 -5.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0732 -5.1569 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5029 -4.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4844 -4.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0187 -3.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1299 -3.2629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8406 -6.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0079 -6.7090 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4433 -6.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5683 -6.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1711 -7.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2441 -5.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8107 -5.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 0 0 0 0 7 8 2 0 0 0 0 4 14 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 14 15 2 0 0 0 0 9 14 1 0 0 0 0 G 14 4 Boc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 9 10 11 12 13 14 15 M SBL 1 1 3 M SDI 1 4 6.0400 -5.5700 6.3200 -5.4800 M SMT 1 Boc M SBV 1 3 -0.1700 0.5700 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16261345 > MFCD03788435 > F > 00833 > - > - > - > - $$$$