BA67PW -OEChem-04012120322D 57 61 0 1 0 0 0 0 0999 V2000 8.1060 -0.1806 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 2.8782 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 2.3199 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6868 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 0.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 3.8540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 2.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 1.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2041 -2.6437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -4.1640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 1.3540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 2.3540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8544 2.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8544 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 2.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0945 0.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0945 2.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 2.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 -0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 -0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 1.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 -1.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3185 -2.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 -2.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3185 -3.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 -3.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 -3.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 1.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2080 -3.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 0.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 2.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2530 3.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4559 3.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4559 0.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2530 0.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1016 3.5086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0496 -0.4560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1234 4.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9895 -0.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 1.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 1.7999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0496 -1.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8555 -3.4560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0496 -3.4560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 -0.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4193 -4.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8184 -3.5511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3221 1.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -1.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 22 1 0 0 0 0 3 33 1 0 0 0 0 4 38 1 0 0 0 0 5 21 1 0 0 0 0 5 25 1 0 0 0 0 6 19 1 0 0 0 0 6 46 1 0 0 0 0 7 19 2 0 0 0 0 8 20 2 0 0 0 0 9 28 1 0 0 0 0 9 35 1 0 0 0 0 10 31 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 1 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 17 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 44 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 33 2 0 0 0 0 27 34 1 0 0 0 0 28 30 1 0 0 0 0 29 32 2 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 32 52 1 0 0 0 0 33 36 1 0 0 0 0 34 37 2 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 36 38 2 0 0 0 0 36 56 1 0 0 0 0 37 38 1 0 0 0 0 37 57 1 0 0 0 0 M END $$$$