25 23 0 0 0 0 0 0 0 0 1 V2000 4.2415 -2.9348 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2415 -2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2415 -3.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2015 -2.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -2.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3124 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8724 -1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 -1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5674 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5274 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0073 0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9674 0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4474 1.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4074 1.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8874 2.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8474 2.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3274 2.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2874 2.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7674 3.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4814 -2.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0915 -2.2598 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4174 -2.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7024 -1.5848 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7674 -1.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 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 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00134393 > A > 374598 > F > 52373 > - > - $$$$ 8 6 0 0 0 0 0 0 0 0 1 V2000 -2.1816 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4671 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7526 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0381 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0381 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0381 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7869 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1816 0.0150 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 4 6 1 0 0 0 4 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011869 > A > 234435 > F > 23068 > - > - $$$$ 22 20 0 0 0 0 0 0 0 0 1 V2000 -2.3494 0.1306 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7738 0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9741 0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3986 1.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4011 0.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9671 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3781 -0.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4132 -0.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9156 0.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7153 0.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2908 1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0905 0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9383 -0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -0.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3135 -0.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1132 -0.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2882 -0.2848 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2882 0.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4632 -0.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1132 -0.2848 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2882 -1.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 18 19 2 0 0 0 18 20 1 0 0 0 18 21 1 0 0 0 18 22 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011637 > 1 > 155837 > F > 86868 > - > - $$$$ 21 20 0 0 0 0 0 0 0 0 1 V2000 0.3751 -0.2661 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9238 0.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6796 0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3751 -2.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6683 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1051 -0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6796 2.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2765 -2.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5697 -0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1051 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4376 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5808 3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1778 -2.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4376 -2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7701 -0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 2.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7701 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7701 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3403 2.4433 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 2 0 0 0 0 16 20 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011850 > A > 293016 > - > - > - > - $$$$ 11 8 0 0 0 0 0 0 0 0 1 V2000 -2.5958 0.2099 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7348 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 1.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5758 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4848 -1.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9748 -0.1670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0919 -0.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4648 0.7159 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8568 0.3418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7348 0.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00150356 > A > 358967 > F > 87726 > - > - $$$$ 18 16 0 0 0 0 0 0 0 0 1 V2000 0.6180 -1.4420 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6180 -0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5179 -1.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2299 -1.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5665 -0.5839 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 4 5 1 0 0 0 1 17 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CH2CH3 M SBV 1 3 -4.4633 1.9117 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 12 6 7 8 9 10 11 12 13 14 15 16 17 M SBL 2 1 5 M SMT 2 CH3(CH2)10CH^2 M SBV 2 5 -2.0653 5.4896 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00043170 > F > 44165 > - > - > - > - $$$$ 27 25 0 0 0 0 0 0 0 0 1 V2000 5.7717 -3.1042 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 5.7717 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9833 -2.2792 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1.5474 -3.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 -3.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -3.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1008 -3.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6186 -3.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1364 -3.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -3.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 -3.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3752 -3.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8574 -3.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3396 -3.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8217 -3.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3039 -3.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7861 -3.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 -3.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7505 -3.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7717 -3.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2539 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7361 -3.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2183 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7005 -3.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1826 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 -3.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 1 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 G 11 1 CH3(CH2)6CH^2 G 12 1 CH2(CH2)6CH3 G 20 1 CH2(CH2)6CH3 M CHG 2 1 1 3 -1 M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 8 4 5 6 7 8 9 10 11 M SBL 1 1 2 M SMT 1 CH3(CH2)6CH^2 M SBV 1 2 0.6000 0.0000 M SAL 2 8 12 13 14 15 16 17 18 19 M SBL 2 1 17 M SMT 2 CH2(CH2)6CH3 M SBV 2 17 -0.6000 0.0000 M SAL 3 8 20 21 22 23 24 25 26 27 M SBL 3 1 18 M SMT 3 CH2(CH2)6CH3 M SBV 3 18 0.0000 0.6000 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011862 > A > 205613 > F > 69485 > - > - $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 1.9266 4.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2279 3.8755 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7428 3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 4.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2279 1.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 2.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7428 2.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5916 4.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5916 1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9266 3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9266 2.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2223 1.6322 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2223 -0.4039 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9162 2.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7204 -4.8463 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00012104 > A > 293695 > - > - > - > - $$$$ 10 8 0 0 0 0 0 0 0 0 1 V2000 -2.7670 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0525 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3381 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6236 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6236 0.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0525 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0525 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 -0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4469 -0.6166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -0.1891 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 4 5 2 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 4 8 1 0 0 0 8 9 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SMT 1 NHNH2 M SBV 1 7 -6.1038 5.0968 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00012009 > A > G900 > F > 48930 > - > - $$$$ 11 9 0 0 0 0 0 0 0 0 1 V2000 -4.8449 0.2849 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2469 0.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9479 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 0.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 0.2849 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2480 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 1.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 -1.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9049 1.3149 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00545102 > A > 523461 > - > - > - > - $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 -0.4806 -0.0215 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4806 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4806 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3056 -0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2733 -0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9878 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6998 -0.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9878 0.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6998 0.8465 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 6 8 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011903 > S > B7045 > - > - > - > - $$$$ 19 17 0 0 0 0 0 0 0 0 1 V2000 0.6180 -1.7980 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6180 -0.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -2.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6579 -1.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6279 2.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 2.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 2.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 2.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 2.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 2.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 2.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 2.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 2.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 2.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 2.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 2.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 2.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 2.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -0.9730 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 18 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 14 5 6 7 8 9 10 11 12 13 14 15 16 17 18 M SBL 1 1 4 M SMT 1 CH3(CH2)12CH^2 M SBV 1 4 -0.5369 6.3183 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011770 > F > 87210 > - > - > - > - $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 -0.2076 -0.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 0.4428 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6962 0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -0.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 2.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 -0.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 0.6114 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4345 -2.4761 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00075396 > A > 347604 > - > - > - > - $$$$ 16 14 0 0 0 0 0 0 0 0 1 V2000 -0.0280 1.0379 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -1.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -2.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6679 -1.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6679 -0.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0569 1.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5218 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 1.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 2.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 0.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9317 1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7367 1.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7017 0.1529 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.3618 -1.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00149989 > A > 361224 > - > - > - > - $$$$ 10 8 0 0 0 0 0 0 0 0 1 V2000 -1.9999 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1749 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7624 -0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1749 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9999 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3499 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4751 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4751 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3499 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 -0.2062 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 3 6 1 0 0 0 6 7 1 0 0 0 8 9 1 0 0 0 9 3 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011825 > A > 140023 > F > 86606 > - > - $$$$ 13 10 0 0 0 0 0 0 0 0 1 V2000 -0.2542 0.6451 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 0.0458 1.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 1.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5542 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1542 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5542 1.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1542 1.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2294 -0.6500 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 0.5336 -0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -1.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0532 -1.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 2 1 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 M CHG 2 1 1 10 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00149992 > A > 113042 > F > 86605 > - > - $$$$ 25 24 0 0 0 0 0 0 0 0 1 V2000 -5.5760 3.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2772 3.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8694 3.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3757 3.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8694 1.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2018 3.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0826 2.8385 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.2018 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5345 3.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 3.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0826 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3972 1.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5345 1.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1119 3.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 3.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9204 3.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8217 3.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7232 3.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6244 3.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5315 3.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4329 3.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3341 3.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2357 3.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5344 2.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6996 -3.8405 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011769 > A > 247480 > - > - > - > - $$$$ 30 28 0 0 0 0 0 0 0 0 1 V2000 -1.5220 -0.2843 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6310 -0.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1609 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 -0.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6910 -0.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2009 -1.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2448 1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1278 1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0108 1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8948 1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2448 -1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1278 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0108 -1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8948 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -0.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5378 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8548 0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8278 -1.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3178 -0.3314 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4348 -0.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8078 0.5515 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2009 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00037675 > A > 369616 > F > 87303 > - > - $$$$ 11 9 0 0 0 0 0 0 0 0 1 V2000 -1.2989 -1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1624 -0.4254 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8633 -1.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5988 -1.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1624 2.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5988 0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7351 -0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5988 -1.8291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7351 2.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0046 -2.4948 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00012011 > A > C2409 > F > 21760 > - > - $$$$ 17 16 0 0 0 0 0 0 0 0 1 V2000 -3.2834 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2834 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5689 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8545 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8545 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5689 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1425 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 0.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1425 1.6457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1425 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1425 -1.6457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4584 -0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4584 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4584 -0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2834 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6334 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 4 10 1 0 0 0 10 11 1 0 0 0 10 12 2 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 13 17 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00216634 > A > 438324 > - > - > - > - $$$$ 30 28 0 0 0 0 0 0 0 0 1 V2000 -6.4457 0.9173 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.9959 -0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1957 -0.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3958 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3958 -1.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1957 -2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9959 -1.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2259 0.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4457 1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6403 2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0295 2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2241 1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4189 2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6134 1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8082 2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8027 2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6079 1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4135 2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2187 1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0241 2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8296 1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6351 2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4403 1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2459 2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4457 0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4858 0.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5659 -0.8973 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 -2.5659 -0.0576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00149986 > A > 229016 > - > - > - > - $$$$ 31 28 0 0 0 0 0 0 0 0 1 V2000 1.4393 -4.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 -4.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 -4.7068 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 2.5991 -5.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 -4.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9318 -4.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4242 -4.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4242 -5.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9318 -5.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4393 -5.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9232 -3.9403 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1.3418 -6.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8615 -6.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3794 -6.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4043 -6.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -5.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4419 -6.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0137 -4.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 -4.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0343 -4.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4688 -4.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0549 -3.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4894 -3.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0755 -3.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9039 -3.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4694 -3.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 -2.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4488 -3.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8628 -2.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4283 -2.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 18 1 0 0 0 0 3 4 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 3 5 1 0 0 0 0 1 6 2 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 1 1 0 0 0 0 3 2 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 G 18 3 CH2(CH2)12CH3 M CHG 2 3 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 14 18 19 20 21 22 23 24 25 26 27 28 29 30 31 M SBL 1 1 2 M SMT 1 CH2(CH2)12CH3 M SBV 1 2 -0.4200 -0.4100 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00149985 > A > 292796 > F > 13403 > - > - $$$$ 8 6 0 0 0 0 0 0 0 0 1 V2000 -0.0336 -1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3326 -0.5261 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4273 -0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0176 -1.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3326 1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0176 0.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0176 -1.3638 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4965 1.0429 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011865 > A > 117196 > - > - > - > - $$$$ 14 12 0 0 0 0 0 0 0 0 1 V2000 -1.8117 0.0001 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5121 0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1285 0.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8117 -2.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1173 -0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3939 0.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1285 2.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5121 -2.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4175 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2058 0.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1173 0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4175 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3105 2.4383 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00134532 > A > 380830 > - > - > - > - $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -3.1108 0.8298 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3108 -0.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3108 -1.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1108 -1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9108 -1.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9108 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1108 0.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7598 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1108 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1808 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -0.1199 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 2.6380 -1.1808 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.7598 -1.1808 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011789 > A > 139718 > F > 79253 > - > - $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 -0.9172 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3838 0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2242 0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9172 -2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6056 -0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6795 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2242 2.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3838 -2.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6057 1.7522 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00043177 > F > 90485 > - > - > - > - $$$$ 18 17 0 0 0 0 0 0 0 0 1 V2000 0.5500 1.3125 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 2.2167 1.2208 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 -0.1667 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1667 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5458 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5458 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1667 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 9 2 0 0 0 0 17 8 1 0 0 0 0 18 17 2 0 0 0 0 18 16 1 0 0 0 0 M CHG 2 1 1 2 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00051869 > F > 14009 > - > - > - > - $$$$ 38 39 0 0 0 0 0 0 0 0 1 V2000 -2.7239 0.3567 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1483 0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 0.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7731 1.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0265 1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1328 -0.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3416 0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7526 -0.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0386 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2902 0.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0898 0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6654 1.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4650 1.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3129 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1125 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6881 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4877 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6289 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6289 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -2.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0578 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0578 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -0.0014 0.0000 Sn 0 5 0 0 0 0 0 0 0 0 0 0 3.5183 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1058 0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2808 0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8683 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2808 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1058 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0578 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0578 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 2.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6289 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6289 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4877 0.2121 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 -0.5848 0.0000 F 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 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 18 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 25 1 0 0 0 26 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 36 26 1 0 0 0 24 37 1 0 0 0 24 38 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00192465 > A > 418625 > - > - > - > - $$$$ 24 22 0 0 0 0 0 0 0 0 1 V2000 1.2975 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6311 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2017 0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1117 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2016 0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0159 0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0159 0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9204 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7290 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8246 0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6387 0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7288 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5433 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6387 0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8408 0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5431 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8408 0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8992 -1.3839 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00012194 > A > 382310 > F > 36750 > - > - $$$$ 18 16 0 0 0 0 0 0 0 0 1 V2000 -0.9871 -0.0011 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4115 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3882 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7634 0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3952 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9842 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7755 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5533 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9286 0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7282 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3757 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9513 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7509 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7509 0.1077 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011635 > F > 86870 > - > - > - > - $$$$ 31 29 0 0 0 0 0 0 0 0 1 V2000 5.6042 -3.7750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.7792 -3.7750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6042 -2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -4.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -1.3542 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 6.4292 -3.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -5.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 5 1 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 17 1 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 28 1 0 0 0 0 21 26 1 0 0 0 0 22 21 1 0 0 0 0 23 12 1 0 0 0 0 24 25 1 0 0 0 0 25 23 1 0 0 0 0 26 11 1 0 0 0 0 27 13 1 0 0 0 0 28 27 1 0 0 0 0 29 15 1 0 0 0 0 30 14 1 0 0 0 0 31 16 1 0 0 0 0 M CHG 2 2 -1 5 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD03095545 > F > 02382 > - > - > - > - $$$$ 24 22 0 0 0 0 0 0 0 0 1 V2000 1.3542 -3.7750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.0042 -3.7750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1792 -3.7750 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 0.5292 -3.7750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8292 -3.7750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3542 -2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -4.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -4.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -1.4292 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 0.5292 -2.9500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -4.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -3.7750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -3.7750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.9500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -4.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 2 2 0 0 0 0 11 4 1 0 0 0 0 12 4 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 5 1 0 0 0 0 16 5 1 0 0 0 0 17 10 1 0 0 0 0 18 10 1 0 0 0 0 19 10 1 0 0 0 0 20 10 1 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 23 19 1 0 0 0 0 24 17 1 0 0 0 0 M CHG 2 3 -1 10 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD01863120 > F > 87267 > - > - > - > - $$$$ 20 18 0 0 0 0 0 0 0 0 1 V2000 -2.2033 -0.0011 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6277 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2525 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5472 0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6122 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5593 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7695 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5692 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1447 0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9444 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7922 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5919 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1675 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9671 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3171 -0.0728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1421 -0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9671 -0.0728 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 18 19 3 0 0 0 19 20 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00043222 > F > 86864 > - > - > - > - $$$$ 9 7 0 0 0 0 0 0 0 0 1 V2000 -2.2890 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5745 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -0.2055 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1456 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5689 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1481 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -0.1110 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 7 8 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00059972 > A > 438278 > F > 69437 > - > - $$$$ 24 23 0 0 0 0 0 0 0 0 1 V2000 -2.3092 -0.0011 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7336 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3584 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4413 0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7181 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9269 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3379 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8754 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6751 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2507 0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0503 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8982 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6978 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2734 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2112 0.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0362 0.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9563 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6237 -0.4830 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.2911 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1744 -0.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 -0.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 19 1 0 0 0 20 23 2 0 0 0 22 24 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00210091 > F > 86841 > - > - > - > - $$$$ 19 17 0 0 0 0 0 0 0 0 1 V2000 -1.7908 -0.0011 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2152 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4155 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9597 0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1997 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4085 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1805 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9718 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1567 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7322 0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5319 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1794 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5546 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 -0.0728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5546 -0.0728 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 18 19 3 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00043221 > A > 358665 > F > 79989 > - > - $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -2.2411 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2411 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5267 -1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5267 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0977 0.4678 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6167 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5102 1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3148 1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 -0.0049 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011788 > A > 135321 > - > - > - > - $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 3.9460 -3.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4656 -4.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9852 -3.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9852 -3.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4656 -2.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5049 -2.8896 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 6.0245 -3.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3496 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0245 -2.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2091 -2.9208 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 M CHG 2 7 1 11 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011790 > A > 199168 > F > 79263 > - > - $$$$ 38 36 0 0 0 0 0 0 0 0 1 V2000 2.9167 -6.4583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.7458 -6.4583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9167 -5.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -7.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -4.4792 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 2.0917 -6.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -6.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9375 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7458 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7708 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7708 -7.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7458 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2833 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7292 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 5 1 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 10 1 0 0 0 0 15 22 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 24 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 25 1 0 0 0 0 23 34 1 0 0 0 0 24 23 1 0 0 0 0 25 33 1 0 0 0 0 26 13 1 0 0 0 0 27 26 1 0 0 0 0 28 14 1 0 0 0 0 29 11 1 0 0 0 0 30 28 1 0 0 0 0 31 30 1 0 0 0 0 32 27 1 0 0 0 0 33 29 1 0 0 0 0 34 12 1 0 0 0 0 35 15 1 0 0 0 0 36 17 1 0 0 0 0 37 16 1 0 0 0 0 38 18 1 0 0 0 0 M CHG 2 2 -1 5 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD04040056 > F > 87981 > - > - > - > - $$$$ 23 21 0 0 0 0 0 0 0 0 1 V2000 -6.5603 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2596 -1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8534 -1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9668 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1463 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6739 -1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0010 -0.7548 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3809 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4264 -2.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0010 2.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4264 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0881 -1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2122 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5054 -1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0909 -1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3839 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6848 -1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9777 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2704 -1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5633 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4264 -0.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9654 0.9629 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00043171 > A > 359246 > F > 74765 > - > - $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 -1.5402 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9568 -0.1208 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3735 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6713 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9568 0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6713 -0.0950 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011626 > 1 > 426296 > A > 195758 > F > 87709 $$$$ 32 30 0 0 0 0 0 0 0 0 1 V2000 5.5708 0.4708 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 1.1167 -1.1833 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 4.5208 0.4708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 0.4708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 1.3833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 1.3833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -0.4375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -0.4375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -5.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -4.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 -5.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 2 1 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 24 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 23 28 1 0 0 0 0 24 27 1 0 0 0 0 25 14 1 0 0 0 0 26 16 1 0 0 0 0 27 13 1 0 0 0 0 28 15 1 0 0 0 0 29 17 1 0 0 0 0 30 20 1 0 0 0 0 31 19 1 0 0 0 0 32 18 1 0 0 0 0 M CHG 2 1 -1 2 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00674550 > F > 87308 > - > - > - > - $$$$ 38 36 0 0 0 0 0 0 0 0 1 V2000 8.7000 5.1292 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 5.8667 5.1292 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 9.1667 4.5250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 5.5542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 4.5167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 5.5417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5125 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 3.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 8.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 15 22 1 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 29 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 22 24 1 0 0 0 0 23 11 1 0 0 0 0 24 34 1 0 0 0 0 25 13 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 12 1 0 0 0 0 32 33 1 0 0 0 0 33 14 1 0 0 0 0 34 23 1 0 0 0 0 35 18 1 0 0 0 0 36 15 1 0 0 0 0 37 17 1 0 0 0 0 38 16 1 0 0 0 0 M CHG 2 1 -1 2 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00216752 > F > 88012 > - > - > - > - $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 -1.5402 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9568 -0.1208 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3735 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6713 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9568 0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6713 -0.0950 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011628 > A > T19526 > F > 87719 > - > - $$$$ 78 80 0 0 0 0 0 0 0 0 1 V2000 1.2292 -5.1465 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.4470 -5.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0513 -5.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -4.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -5.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -4.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -5.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 -3.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 -3.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2832 -5.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2832 -4.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 -7.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9282 -7.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4611 -5.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 -3.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0374 -4.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4611 -4.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 -6.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0374 -5.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 -3.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9282 -6.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 -5.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -7.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -2.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6959 -5.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3537 -5.4215 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 3.6529 -3.7354 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3650 -4.1465 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2418 -4.4475 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9409 -3.3243 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6959 -6.5575 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9839 -6.9687 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2848 -5.8455 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 -6.1464 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 -6.5575 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9017 -6.1464 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7834 -5.8455 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4825 -6.9687 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6672 -2.6798 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2561 -1.9677 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3793 -2.2687 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0784 -3.3918 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -7.5702 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2421 -8.2823 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8811 -7.9813 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5801 -6.8582 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6403 -7.5702 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2291 -8.2823 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9282 -7.1591 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0514 -6.8582 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 -3.7084 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9017 -4.1196 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6057 -2.9964 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4825 -3.2973 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1819 -2.7227 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2293 -2.0107 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 -3.1339 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -3.4348 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3899 -4.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5956 -5.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0142 -4.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2193 -4.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6379 -4.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6393 -3.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4335 -3.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0149 -3.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8091 -3.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3905 -4.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3275 -5.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5334 -5.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 -5.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1584 -5.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 -5.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6073 -5.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4015 -5.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9829 -6.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7771 -6.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 -6.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 18 1 0 0 0 0 13 21 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 2 16 2 0 0 0 0 3 17 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 5 18 2 0 0 0 0 2 19 1 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 6 22 2 0 0 0 0 13 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 2 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 11 25 1 0 0 0 0 12 23 2 0 0 0 0 7 22 1 0 0 0 0 8 24 2 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 50 1 0 0 0 0 8 39 1 0 0 0 0 13 47 1 0 0 0 0 10 31 1 0 0 0 0 9 55 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 12 43 1 0 0 0 0 7 35 1 0 0 0 0 6 51 1 0 0 0 0 11 27 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 6 16 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 26 59 1 0 0 0 0 26 78 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 7 19 2 0 0 0 0 8 15 1 0 0 0 0 9 20 2 0 0 0 0 27 28 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 10 14 1 0 0 0 0 11 17 2 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 G 55 9 CF3 G 35 7 CF3 G 47 13 CF3 G 69 26 (CH2)4CH3 G 59 26 (CH2)4CH3 G 68 26 (CH2)4CH3 G 27 11 CF3 G 43 12 CF3 G 31 10 CF3 G 51 6 CF3 G 39 8 CF3 G 78 26 (CH2)4CH3 M CHG 2 1 -1 26 1 M STY 8 1 SUP 2 SUP 3 SUP 4 SUP 5 SUP 6 SUP 7 SUP 8 SUP M STY 4 9 SUP 10 SUP 11 SUP 12 SUP M SLB 8 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 M SLB 4 9 9 10 10 11 11 12 12 M SAL 1 4 55 56 57 58 M SBL 1 1 37 M SMT 1 CF3 M SBV 1 37 0.7100 -0.3700 M SAL 2 4 35 36 37 38 M SBL 2 1 42 M SMT 2 CF3 M SBV 2 42 0.4100 0.7100 M SAL 3 4 47 48 49 50 M SBL 3 1 35 M SMT 3 CF3 M SBV 3 35 -0.7100 0.4100 M SAL 4 5 69 70 71 72 73 M SBL 4 1 58 M SMT 4 (CH2)4CH3 M SBV 4 58 -0.9700 0.3500 M SAL 5 5 59 60 61 62 63 M SBL 5 1 59 M SMT 5 (CH2)4CH3 M SBV 5 59 -1.0300 -0.5900 M SAL 6 5 64 65 66 67 68 M SBL 6 1 57 M SMT 6 (CH2)4CH3 M SBV 6 57 -0.0300 -1.3400 M SAL 7 4 27 28 29 30 M SBL 7 1 44 M SMT 7 CF3 M SBV 7 44 -0.3800 -0.7100 M SAL 8 4 43 44 45 46 M SBL 8 1 41 M SMT 8 CF3 M SBV 8 41 0.7000 0.4100 M SAL 9 4 31 32 33 34 M SBL 9 1 36 M SMT 9 CF3 M SBV 9 36 -0.4200 0.7100 M SAL 10 4 51 52 53 54 M SBL 10 1 43 M SMT 10 CF3 M SBV 10 43 0.4100 -0.7000 M SAL 11 4 39 40 41 42 M SBL 11 1 34 M SMT 11 CF3 M SBV 11 34 -0.7000 -0.4200 M SAL 12 5 74 75 76 77 78 M SBL 12 1 60 M SMT 12 (CH2)4CH3 M SBV 12 60 0.0000 1.1600 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD03095531 > F > 17361 > - > - > - > - $$$$ 23 21 0 0 0 0 0 0 0 0 1 V2000 4.1875 -3.7167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.0125 -3.7167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.1875 -2.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -1.0917 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 3.3625 -3.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7583 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4708 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 5 1 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 13 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 11 1 0 0 0 0 21 22 1 0 0 0 0 22 14 1 0 0 0 0 23 12 1 0 0 0 0 M CHG 2 2 -1 5 1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD01863119 > F > 87217 > - > - > - > - $$$$ 78 76 0 0 0 0 0 0 0 0 1 V2000 0.0830 0.2728 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2208 5.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5088 5.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7968 5.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0848 5.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3728 5.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6608 5.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0512 5.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 5.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4752 5.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1872 5.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8991 5.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6111 5.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3231 5.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0351 5.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7471 5.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4591 5.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1711 5.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8831 5.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5386 -5.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7448 -5.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1635 -5.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3709 -5.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2104 -4.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -5.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5844 -4.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3769 -4.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -4.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7508 -4.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3322 -3.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1247 -4.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7061 -3.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4987 -3.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0800 -3.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8726 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4539 -2.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2477 -2.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7894 -4.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9956 -4.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4143 -4.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6217 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0404 -3.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2478 -3.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6665 -3.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8739 -3.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2926 -2.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -3.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9186 -2.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1261 -2.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5447 -2.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7522 -2.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 -1.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 -2.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2031 -1.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9969 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7894 5.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9953 5.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4140 4.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6199 4.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0386 4.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2445 4.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6631 3.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8691 4.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2877 3.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4937 3.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9123 3.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1182 3.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5369 2.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7428 3.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1615 2.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3674 2.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2139 2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 2.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6355 -0.0051 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 6.6355 -0.8273 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8133 -0.0051 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6355 0.8170 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4576 -0.0051 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 19 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 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 1 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 1 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 1 73 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 71 72 1 0 0 0 72 73 1 0 0 0 74 75 1 0 0 0 74 76 1 0 0 0 74 77 1 0 0 0 74 78 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 M SAL 1 3 17 18 19 M SBL 1 1 1 M SMT 1 CH3(CH2)16CH^2 M SBV 1 1 2.4894 10.9908 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 M SAL 2 3 35 36 37 M SBL 2 1 19 M SMT 2 CH2(CH2)16CH3 M SBV 2 19 -2.8551 -0.6993 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 15 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 M SAL 3 3 53 54 55 M SBL 3 1 37 M SMT 3 CH2(CH2)16CH3 M SBV 3 37 5.3957 0.5838 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 15 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 M SAL 4 3 71 72 73 M SBL 4 1 55 M SMT 4 CH3(CH2)16CH^2 M SBV 4 55 -4.3857 7.3443 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD01863124 > F > 87986 > - > - > - > - $$$$ 18 16 0 0 0 0 0 0 0 0 1 V2000 -0.9656 -0.0011 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3900 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4096 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9852 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0057 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7969 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5318 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3315 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9071 0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7067 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5546 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9298 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7294 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7294 0.0647 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00043224 > F > 86878 > - > - > - > - $$$$ 12 10 0 0 0 0 0 0 0 0 1 V2000 -3.4199 0.0799 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2898 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4199 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4199 -0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5499 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 4.2898 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2899 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 1.4999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -1.4999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 1.0609 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8509 -1.0609 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00012012 > F > 87725 > - > - > - > - $$$$ 39 37 0 0 0 0 0 0 0 0 1 V2000 0.0000 1.1876 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2975 1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6907 0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2016 1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2017 1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1116 1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8083 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0158 1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0159 1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7183 -1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9204 1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6229 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8244 1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8246 1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5269 -1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7288 1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7288 1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4313 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6388 1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6387 1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3358 -1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5432 1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5431 1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4474 1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4475 1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1498 -1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3517 1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3517 1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0541 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6548 1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6548 1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3517 -1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 -1.9402 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 34 37 1 0 0 0 0 35 38 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00075595 > A > 374350 > - > - > - > - $$$$ 40 44 0 0 0 0 0 0 0 0 1 V2000 -0.0167 -0.0333 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7958 0.0250 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 -0.7917 -0.0500 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8250 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7708 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9792 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6042 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -1.4125 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.1458 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5458 1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 -1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4458 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7167 0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3167 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1917 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 11 6 2 0 0 0 0 12 6 1 0 0 0 0 13 4 2 0 0 0 0 14 7 2 0 0 0 0 15 7 1 0 0 0 0 16 8 2 0 0 0 0 17 8 1 0 0 0 0 18 9 2 0 0 0 0 19 9 1 0 0 0 0 20 4 1 0 0 0 0 21 5 2 0 0 0 0 22 5 1 0 0 0 0 23 20 2 0 0 0 0 24 21 1 0 0 0 0 25 22 2 0 0 0 0 26 14 1 0 0 0 0 27 15 2 0 0 0 0 28 16 1 0 0 0 0 29 17 2 0 0 0 0 30 18 1 0 0 0 0 31 19 2 0 0 0 0 32 11 1 0 0 0 0 33 12 2 0 0 0 0 34 13 1 0 0 0 0 35 27 1 0 0 0 0 36 29 1 0 0 0 0 37 31 1 0 0 0 0 38 33 1 0 0 0 0 39 23 1 0 0 0 0 40 24 2 0 0 0 0 37 30 2 0 0 0 0 36 28 2 0 0 0 0 35 26 2 0 0 0 0 38 32 2 0 0 0 0 40 25 1 0 0 0 0 39 34 2 0 0 0 0 M CHG 2 1 1 10 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00151523 > A > 223832 > F > 15261 > - > - $$$$ 23 21 0 0 0 0 0 0 0 0 1 V2000 -2.5279 -0.0011 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9523 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1527 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5771 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2225 0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9368 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1456 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5566 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0942 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8938 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4694 0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1169 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9165 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4921 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2918 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -0.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1483 -0.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8628 -0.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5773 -0.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2918 -0.5025 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1483 0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 21 20 2 0 0 0 22 21 1 0 0 0 19 23 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00043410 > F > 63287 > - > - > - > - $$$$ 22 20 0 0 0 0 0 0 0 0 1 V2000 -1.8680 -0.0011 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2924 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4928 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0828 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8825 0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2769 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4857 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1033 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8945 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4342 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8095 0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6091 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2566 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8322 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6318 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2029 -0.2604 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9174 0.1521 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 -0.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 1 10 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 1 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 19 21 2 0 0 0 19 22 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00043226 > F > 86877 > - > - > - > - $$$$ 6 4 0 0 0 0 0 0 0 0 1 V2000 0.0000 1.3849 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2985 0.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 0.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 2.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 -2.9467 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00011629 > A > 235946 > F > 87740 > - > - $$$$ 10 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.1928 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2974 -0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 -0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6907 1.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2016 -0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2016 -0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5048 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5048 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0608 -2.2261 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00043200 > F > 32598 > - > - > - > - $$$$ 38 36 0 0 0 0 0 0 0 0 1 V2000 0.9399 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9399 0.7797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9399 -0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.9297 0.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9297 -0.5312 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.7997 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.9297 1.4333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2097 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2097 0.8697 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2097 -0.8688 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3098 0.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3098 1.4097 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3098 -0.3288 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4398 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4398 -0.8688 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4398 0.8697 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6301 0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6301 1.3497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6301 -0.3888 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -0.8688 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 0.8697 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8598 0.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8598 1.3197 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8598 -0.4188 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1597 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1597 -0.8698 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1597 0.8687 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 -0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6596 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2297 0.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 0.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2496 1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 -0.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2496 -1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3699 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7997 0.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 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 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 30 35 1 0 0 0 0 30 37 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > 16278278 > MFCD00066497 > A > 365289 > F > 77288 > - > - $$$$ 21 19 0 0 0 0 0 0 0 0 1 V2000 -1.9935 -0.0011 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4180 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6183 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0427 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7569 0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4025 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6112 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5598 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3594 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.935