@MOLECULE 58344442 32 33 1 SMALL USER_CHARGES @ATOM 1 Cl1 4.9760 -5.1523 -0.5425 Cl 1 noname -0.0645 2 S1 5.6649 1.0024 -0.7622 S 1 noname -0.1198 3 O1 0.4732 0.5383 0.2253 O.3 1 noname -0.3640 4 O2 7.2136 1.3618 -0.7863 O.2 1 noname -0.1987 5 O3 4.9693 1.5670 -2.0758 O.2 1 noname -0.1987 6 O4 8.6738 -3.3528 -1.3328 O.3 1 noname -0.2181 7 O5 7.1397 -4.8786 -1.9580 O.2 1 noname -0.2582 8 N1 3.2806 -0.4653 0.1492 N.3 1 noname -0.1181 9 N2 4.9282 1.7160 0.6334 N.3 1 noname -0.0098 10 C1 4.2807 -1.2658 -0.2438 C.2 1 noname 0.0677 11 C2 5.4726 -0.7158 -0.7009 C.2 1 noname 0.0226 12 C3 2.1863 -1.2504 0.5667 C.3 1 noname 0.0473 13 C4 6.5100 -1.5463 -1.1086 C.2 1 noname 0.0704 14 C5 4.1261 -2.6463 -0.1946 C.2 1 noname 0.0020 15 C6 6.3554 -2.9268 -1.0593 C.2 1 noname 0.0144 16 C7 5.1635 -3.4768 -0.6023 C.2 1 noname 0.0627 17 C8 1.0967 -0.3781 0.9949 C.2 1 noname 0.0478 18 C9 0.5306 -0.3534 2.2592 C.2 1 noname 0.0062 19 C10 7.3928 -3.7572 -1.4670 C.2 1 noname 0.0888 20 C11 -0.4670 0.6114 2.2473 C.2 1 noname 0.0004 21 C12 -0.4749 1.1453 0.9676 C.2 1 noname 0.0385 22 H1 3.0092 0.1002 -0.5907 H 1 noname 0.1286 23 H2 1.8490 -1.8732 -0.2618 H 1 noname 0.0503 24 H3 2.4913 -1.8858 1.3981 H 1 noname 0.0503 25 H4 7.3846 -1.1426 -1.4440 H 1 noname 0.0649 26 H5 3.2515 -3.0500 0.1408 H 1 noname 0.0655 27 H6 0.7976 -0.9366 3.0522 H 1 noname 0.0647 28 H7 3.9113 1.6698 0.5431 H 1 noname 0.1404 29 H8 5.2193 1.2067 1.4703 H 1 noname 0.1404 30 H9 -1.0731 0.8749 3.0243 H 1 noname 0.0644 31 H10 -1.0998 1.8816 0.6393 H 1 noname 0.0900 32 H11 9.3835 -4.0129 -1.1879 H 1 noname 0.2216 @BOND 1 1 16 1 2 2 4 2 3 2 5 2 4 2 9 1 5 2 11 1 6 3 17 1 7 3 21 1 8 6 19 1 9 6 32 1 10 7 19 2 11 8 10 1 12 8 12 1 13 8 22 1 14 9 28 1 15 9 29 1 16 10 11 2 17 10 14 1 18 11 13 1 19 12 17 1 20 12 23 1 21 12 24 1 22 13 15 2 23 13 25 1 24 14 16 2 25 14 26 1 26 15 16 1 27 15 19 1 28 17 18 2 29 18 20 1 30 18 27 1 31 20 21 2 32 20 30 1 33 21 31 1 @SUBSTRUCTURE 1 noname 1