@MOLECULE 71743680 29 30 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.9316 -0.2961 1.0665 Cl 1 noname -0.0805 2 O1 1.5371 -2.7212 -0.0186 O.2 1 noname -0.2904 3 N1 -1.3798 -1.9635 -1.5257 N.3 1 noname -0.3152 4 C1 -0.4674 -1.3326 -0.5385 C.3 1 noname 0.1019 5 C2 -1.3512 -0.5748 0.5209 C.3 1 noname -0.0236 6 C3 -2.2798 -1.4923 1.3685 C.3 1 noname -0.0503 7 C4 -1.4395 -2.6298 1.9999 C.3 1 noname -0.0462 8 C5 -0.6104 -3.4761 0.9749 C.3 1 noname 0.0084 9 C6 0.3091 -2.5359 0.1229 C.2 1 noname 0.1503 10 C7 0.4387 -0.3021 -1.1914 C.2 1 noname -0.0096 11 C8 1.6057 0.2168 -0.5073 C.2 1 noname -0.0008 12 C9 0.1452 0.2013 -2.5162 C.2 1 noname -0.0391 13 C10 2.4901 1.1545 -1.1332 C.2 1 noname -0.0246 14 C11 0.9990 1.1390 -3.1691 C.2 1 noname -0.0552 15 C12 2.1607 1.5791 -2.4575 C.2 1 noname -0.0508 16 H1 -1.9509 0.1837 0.0178 H 1 noname 0.0293 17 H2 -0.6522 -0.1064 1.2136 H 1 noname 0.0293 18 H3 -3.0494 -1.9221 0.7273 H 1 noname 0.0267 19 H4 -2.8032 -0.9165 2.1317 H 1 noname 0.0267 20 H5 -2.0923 -3.2893 2.5717 H 1 noname 0.0271 21 H6 -0.7165 -2.1409 2.6528 H 1 noname 0.0271 22 H7 -1.2901 -4.0151 0.3148 H 1 noname 0.0347 23 H8 -0.0145 -4.2526 1.4546 H 1 noname 0.0347 24 H9 -0.8297 -2.4636 -2.2270 H 1 noname 0.1196 25 H10 -1.9988 -2.6204 -1.0463 H 1 noname 0.1196 26 H11 -0.6945 -0.1231 -2.9958 H 1 noname 0.0626 27 H12 3.3198 1.5041 -0.6539 H 1 noname 0.0638 28 H13 0.7901 1.4826 -4.1065 H 1 noname 0.0622 29 H14 2.7897 2.2337 -2.9225 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