@MOLECULE 15885 31 33 1 SMALL USER_CHARGES @ATOM 1 Cl1 3.7835 1.1368 -0.1882 Cl 1 noname -0.0869 2 C1 2.0977 1.1391 -0.1265 C.2 1 noname -0.0127 3 C2 1.4050 -0.0950 0.0307 C.2 1 noname 0.0193 4 C3 1.3977 2.3771 -0.2329 C.2 1 noname -0.0033 5 C4 -0.0182 -0.0556 0.0826 C.2 1 noname 0.0123 6 C5 -0.0239 2.4339 -0.1878 C.2 1 noname -0.0164 7 C6 -0.7479 -1.2608 0.2302 C.2 1 noname 0.0891 8 C7 -0.7355 1.2061 -0.0301 C.2 1 noname 0.0295 9 O1 -0.1602 -2.3571 0.3536 O.2 1 noname -0.2901 10 C8 -2.1538 -1.1886 0.2338 C.2 1 noname 0.0499 11 N1 -2.1045 1.2117 0.0248 N.3 1 noname 0.0541 12 C9 -2.8061 0.0446 0.1720 C.2 1 noname 0.0158 13 C10 -3.1390 -2.1649 0.2118 C.2 1 noname 0.0452 14 O2 -2.7457 2.3391 -0.0640 O.3 1 noname -0.3000 15 N2 -4.1207 -0.2086 0.2096 N.3 1 noname 0.0048 16 N3 -4.2985 -1.4910 0.2190 N.2 1 noname -0.3321 17 C11 -2.9538 -3.6129 0.1863 C.3 1 noname 0.0533 18 C12 -5.1432 0.7620 0.2348 C.3 1 noname -0.0261 19 C13 -3.5991 -4.1875 -1.0764 C.3 1 noname -0.0597 20 H1 1.9460 -1.0381 0.1087 H 1 noname 0.0646 21 H2 1.9627 3.3017 -0.3516 H 1 noname 0.0638 22 H3 -0.5496 3.3851 -0.2711 H 1 noname 0.0641 23 H4 -2.9341 2.6703 0.8171 H 1 noname 0.2387 24 H5 -1.8788 -3.7763 0.1102 H 1 noname 0.0330 25 H6 -3.5047 -4.0007 1.0432 H 1 noname 0.0330 26 H7 -5.3933 0.9995 1.2688 H 1 noname 0.0454 27 H8 -4.8006 1.6639 -0.2725 H 1 noname 0.0454 28 H9 -6.0260 0.3730 -0.2725 H 1 noname 0.0454 29 H10 -3.5767 -5.2764 -1.0326 H 1 noname 0.0234 30 H11 -4.6326 -3.8477 -1.1431 H 1 noname 0.0234 31 H12 -3.0476 -3.8477 -1.9530 H 1 noname 0.0234 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 1 7 5 8 2 8 6 8 1 9 7 9 2 10 7 10 1 11 8 11 1 12 10 12 2 13 10 13 1 14 11 14 1 15 11 12 1 16 12 15 1 17 13 16 2 18 13 17 1 19 15 18 1 20 15 16 1 21 17 19 1 22 3 20 1 23 4 21 1 24 6 22 1 25 14 23 1 26 17 24 1 27 17 25 1 28 18 26 1 29 18 27 1 30 18 28 1 31 19 29 1 32 19 30 1 33 19 31 1 @SUBSTRUCTURE 1 noname 1