11 10 0 0 0 0 0 0 0 0 1 V2000 -1.4842 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4285 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4043 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4004 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 2 1 0 4 6 1 0 7 4 1 0 8 7 1 0 9 8 1 0 10 9 1 0 M CHG 2 4 1 11 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07784439 > FLUKA > 04275 > - > - > - > - > 16256028 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -0.3175 -0.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -0.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -0.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8185 -0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5636 0.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7386 0.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8185 0.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1511 -0.3431 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4836 0.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7344 -0.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6579 0.4323 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 6 1 0 0 0 8 10 1 0 0 0 8 1 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08458922 > FLUKA > 07326 > - > - > - > - > 16256028 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -1.2130 0.6621 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 -58.7128 31.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -59.5339 31.1941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 59.5339 -31.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.7128 -31.2363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0316 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2066 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2865 0.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6191 0.4613 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9516 0.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2024 -0.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0357 -0.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2416 0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6602 -0.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8661 -0.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 3 0 1 4 1 0 4 5 3 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 7 1 0 9 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 M CHG 2 1 -1 9 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 2 3 M SBL 1 1 1 M SMT 1 CN M SBV 1 1 57.4998 -30.5742 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 4 5 M SBL 2 1 3 M SMT 2 CN M SBV 2 3 -60.7469 31.8561 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD08458923 > FLUKA > 50893 > - > - > - > - > 16256028 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -1.4842 0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8135 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4043 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 0.4038 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.7904 -0.4183 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6154 0.4038 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0346 0.4038 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 1.2260 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 2 1 0 4 6 1 0 7 4 1 0 8 7 1 0 9 8 1 0 10 9 1 0 11 12 1 0 11 13 1 0 11 14 1 0 11 15 1 0 M CHG 2 4 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 11 12 13 14 15 M SMT 1 BF4- M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07784459 > FLUKA > 92409 > - > - > - > - > 16256028 $$$$ 25 24 0 0 0 0 0 0 0 0 1 V2000 -4.7303 0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9053 0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9853 0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3178 -0.3696 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6504 0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0323 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6034 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8889 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1744 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 -0.0778 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5602 -0.0778 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 1.7352 0.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 -0.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -0.0778 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 0.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -0.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9102 -0.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9102 -0.8999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.0778 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9102 0.7443 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 -0.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 0.7443 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0323 -0.0778 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 -0.8999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 2 1 0 4 6 1 0 7 4 1 0 8 7 1 0 9 8 1 0 10 9 1 0 11 12 1 0 11 13 2 0 11 14 2 0 12 15 1 0 15 16 2 0 15 17 2 0 11 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 15 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 M CHG 2 4 1 12 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 18 19 20 21 M SBL 1 1 17 M SMT 1 ^CF3 M SBV 1 17 0.8250 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 22 23 24 25 M SBL 2 1 21 M SMT 2 CF3 M SBV 2 21 -0.8250 0.0000 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07784447 > FLUKA > 40963 > - > - > - > - > 16256028 $$$$ 25 24 0 0 0 0 0 0 0 0 1 V2000 -4.7303 0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9053 0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9853 0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3178 -0.3696 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6504 0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0323 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6034 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8889 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1744 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 -0.0778 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5602 -0.0778 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 1.7352 0.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 -0.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -0.0778 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 0.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -0.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9102 -0.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9102 -0.8999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.0778 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9102 0.7443 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 -0.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 0.7443 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0323 -0.0778 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 -0.8999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 2 1 0 4 6 1 0 7 4 1 0 8 7 1 0 9 8 1 0 10 9 1 0 11 12 1 0 11 13 2 0 11 14 2 0 12 15 1 0 15 16 2 0 15 17 2 0 11 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 15 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 M CHG 2 4 1 12 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 18 19 20 21 M SBL 1 1 17 M SMT 1 ^CF3 M SBV 1 17 0.8250 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 22 23 24 25 M SBL 2 1 21 M SMT 2 CF3 M SBV 2 21 -0.8250 0.0000 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD07784447 > FLUKA > 38894 > - > - > - > - > 16256028 $$$$