BDT3P2 -OEChem-04012117312D 45 47 0 1 0 0 0 0 0999 V2000 8.9446 3.1723 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1377 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 1.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -0.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3623 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.8622 0.6169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9446 -0.8969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7932 -2.4068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6765 -0.9169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 0.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 2.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8047 -1.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 1.9706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3265 -2.7230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2527 -2.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2098 -1.2331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6837 -0.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 5 24 1 0 0 0 0 5 41 1 0 0 0 0 6 24 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 20 2 0 0 0 0 8 25 1 0 0 0 0 9 20 1 0 0 0 0 9 29 2 0 0 0 0 10 29 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 29 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 13 20 1 0 0 0 0 14 30 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 24 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 21 26 1 0 0 0 0 21 35 1 0 0 0 0 22 27 2 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 25 37 1 0 0 0 0 26 28 2 0 0 0 0 26 38 1 0 0 0 0 27 28 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 M END $$$$