@MOLECULE 71743704 29 30 1 SMALL USER_CHARGES @ATOM 1 Cl1 -1.3451 -0.1908 -3.4525 Cl 1 noname -0.0805 2 O1 -2.5809 0.7343 -0.5309 O.2 1 noname -0.2904 3 N1 -0.8564 -1.9849 -1.6334 N.3 1 noname -0.3152 4 C1 -0.7142 -0.9096 -0.6168 C.3 1 noname 0.1019 5 C2 -0.0976 -1.6409 0.6417 C.3 1 noname -0.0236 6 C3 -0.9966 -2.7982 1.1926 C.3 1 noname -0.0503 7 C4 -2.4008 -2.2444 1.5597 C.3 1 noname -0.0462 8 C5 -3.0975 -1.5085 0.3752 C.3 1 noname 0.0084 9 C6 -2.1825 -0.4247 -0.2850 C.2 1 noname 0.1503 10 C7 0.0952 0.2506 -1.2064 C.2 1 noname -0.0096 11 C8 -0.2235 0.6874 -2.5489 C.2 1 noname -0.0008 12 C9 1.1063 0.9931 -0.4659 C.2 1 noname -0.0391 13 C10 0.3833 1.8375 -3.1279 C.2 1 noname -0.0246 14 C11 1.7282 2.1497 -1.0316 C.2 1 noname -0.0552 15 C12 1.3433 2.5573 -2.3483 C.2 1 noname -0.0508 16 H1 0.0827 -0.9130 1.4327 H 1 noname 0.0293 17 H2 0.8827 -2.0331 0.3710 H 1 noname 0.0293 18 H3 -1.0987 -3.5724 0.4321 H 1 noname 0.0267 19 H4 -0.5400 -3.2620 2.0669 H 1 noname 0.0267 20 H5 -3.0351 -3.0615 1.9033 H 1 noname 0.0271 21 H6 -2.2463 -1.5056 2.3460 H 1 noname 0.0271 22 H7 -4.0171 -1.0416 0.7280 H 1 noname 0.0347 23 H8 -3.2702 -2.2823 -0.3728 H 1 noname 0.0347 24 H9 -1.4752 -2.7143 -1.2735 H 1 noname 0.1196 25 H10 -1.2533 -1.5935 -2.4900 H 1 noname 0.1196 26 H11 1.3742 0.6839 0.4685 H 1 noname 0.0626 27 H12 0.1408 2.1398 -4.0714 H 1 noname 0.0638 28 H13 2.4305 2.6725 -0.5083 H 1 noname 0.0622 29 H14 1.7700 3.3937 -2.7466 H 1 noname 0.0623 @BOND 1 1 11 1 2 2 9 2 3 4 3 1 4 3 24 1 5 3 25 1 6 4 5 1 7 4 9 1 8 4 10 1 9 5 6 1 10 5 16 1 11 5 17 1 12 6 7 1 13 6 18 1 14 6 19 1 15 7 8 1 16 7 20 1 17 7 21 1 18 8 9 1 19 8 22 1 20 8 23 1 21 10 11 1 22 10 12 2 23 11 13 2 24 12 14 1 25 12 26 1 26 13 15 1 27 13 27 1 28 14 15 2 29 14 28 1 30 15 29 1 @SUBSTRUCTURE 1 noname 1