@MOLECULE 119025674 31 32 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.4435 4.6961 0.3791 Cl 1 noname -0.0899 2 N1 -0.8314 -0.5875 -0.8362 N.3 1 noname 0.0080 3 N2 -1.0549 -2.8549 -1.5263 N.2 1 noname -0.2077 4 N3 -2.7996 -1.8024 -0.4886 N.2 1 noname -0.2051 5 N4 -2.6685 0.3248 0.2023 N.3 1 noname -0.1224 6 N5 -3.0039 -3.9027 -1.2276 N.3 1 noname -0.0994 7 C1 -0.1885 -1.7443 -1.4351 C.3 1 noname 0.1211 8 C2 0.3210 -1.3791 -2.8307 C.3 1 noname -0.0255 9 C3 1.0365 -2.1499 -0.6130 C.3 1 noname -0.0255 10 C4 -0.1994 0.6166 -0.6757 C.2 1 noname -0.0217 11 C5 -2.1109 -0.7093 -0.3771 C.2 1 noname -0.0824 12 C6 -2.2684 -2.8291 -1.0778 C.2 1 noname -0.0086 13 C7 -0.7010 1.7993 -1.3500 C.2 1 noname -0.0416 14 C8 0.8949 0.7293 0.2616 C.2 1 noname -0.0416 15 C9 -0.1769 3.0821 -1.0235 C.2 1 noname -0.0255 16 C10 1.4233 2.0133 0.5909 C.2 1 noname -0.0255 17 C11 0.8590 3.1717 -0.0457 C.2 1 noname -0.0321 18 H1 1.5103 -3.0180 -1.0712 H 1 noname 0.0269 19 H2 0.7267 -2.3986 0.4020 H 1 noname 0.0269 20 H3 0.8034 -2.2472 -3.2801 H 1 noname 0.0269 21 H4 -0.5173 -1.0664 -3.4533 H 1 noname 0.0269 22 H5 1.0400 -0.5635 -2.7531 H 1 noname 0.0269 23 H6 1.7450 -1.3222 -0.5843 H 1 noname 0.0269 24 H7 -1.4296 1.7116 -2.0583 H 1 noname 0.0639 25 H8 1.2896 -0.1091 0.6878 H 1 noname 0.0639 26 H9 -3.5704 0.0950 0.4757 H 1 noname 0.1268 27 H10 -2.6990 1.0674 -0.4211 H 1 noname 0.1268 28 H11 -0.5349 3.9212 -1.4798 H 1 noname 0.0638 29 H12 2.1846 2.1069 1.2633 H 1 noname 0.0638 30 H13 -3.8836 -3.7473 -0.8496 H 1 noname 0.1273 31 H14 -3.0892 -4.1070 -2.1720 H 1 noname 0.1273 @BOND 1 1 17 1 2 2 7 1 3 2 10 1 4 2 11 1 5 3 7 1 6 3 12 2 7 4 11 2 8 4 12 1 9 5 11 1 10 5 26 1 11 5 27 1 12 6 12 1 13 6 30 1 14 6 31 1 15 7 8 1 16 7 9 1 17 8 20 1 18 8 21 1 19 8 22 1 20 9 18 1 21 9 19 1 22 9 23 1 23 10 13 2 24 10 14 1 25 13 15 1 26 13 24 1 27 14 16 2 28 14 25 1 29 15 17 2 30 15 28 1 31 16 17 1 32 16 29 1 @SUBSTRUCTURE 1 noname 1