@MOLECULE DB03228 34 34 1 SMALL USER_CHARGES @ATOM 1 Cl1 -3.5306 -3.2518 -0.7462 Cl 1 noname -0.1252 2 C1 -1.8184 -3.1294 -0.3717 C.3 1 noname 0.0355 3 C2 -1.3969 -1.6587 -0.3866 C.3 1 noname 0.0168 4 N1 -0.0228 -1.5605 -0.0861 N.3 1 noname -0.1078 5 C3 0.3464 -0.2724 -0.0991 C.2 1 noname 0.0945 6 C4 0.2191 -2.1058 1.1915 C.3 1 noname 0.0168 7 C5 0.8003 0.3086 -1.2775 C.2 1 noname 0.0554 8 C6 0.2754 0.4827 1.0657 C.2 1 noname 0.0227 9 C7 1.7101 -1.9993 1.5176 C.3 1 noname 0.0355 10 N2 0.8669 -0.4004 -2.3711 N.2 1 noname -0.0086 11 C8 1.1832 1.6447 -1.2910 C.2 1 noname 0.1169 12 C9 0.6583 1.8189 1.0522 C.2 1 noname 0.0977 13 Cl2 2.0115 -2.6788 3.1096 Cl 1 noname -0.1252 14 O1 0.7280 0.1131 -3.4076 O.2 1 noname -0.1430 15 O2 1.0823 -1.6452 -2.3057 O.3 1 noname -0.1430 16 C10 1.1122 2.3999 -0.1262 C.2 1 noname 0.0575 17 C11 0.5873 2.5740 2.2170 C.2 1 noname 0.0335 18 N3 1.4717 3.6543 -0.1389 N.2 1 noname -0.0091 19 O3 -0.2772 2.3110 3.0806 O.2 1 noname -0.2936 20 N4 1.4457 3.5840 2.4141 N.3 1 noname -0.0850 21 O4 1.3504 4.2852 -1.1107 O.2 1 noname -0.1435 22 O5 1.9520 4.1852 0.9040 O.3 1 noname -0.1435 23 H1 -1.6552 -3.4465 0.6583 H 1 noname 0.0448 24 H2 -1.2436 -3.5831 -1.1792 H 1 noname 0.0448 25 H3 -1.4964 -1.2870 -1.4064 H 1 noname 0.0447 26 H4 -1.9080 -1.1504 0.4310 H 1 noname 0.0447 27 H5 -0.3271 -1.4673 1.8858 H 1 noname 0.0447 28 H6 -0.0357 -3.1623 1.1072 H 1 noname 0.0447 29 H7 -0.0805 0.0271 1.9897 H 1 noname 0.0649 30 H8 2.1959 -2.6221 0.7664 H 1 noname 0.0448 31 H9 1.9044 -0.9271 1.5451 H 1 noname 0.0448 32 H10 1.5391 2.1003 -2.2151 H 1 noname 0.0672 33 H11 2.4357 3.3981 2.4883 H 1 noname 0.1274 34 H12 1.1027 4.5310 2.4883 H 1 noname 0.1274 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 5 7 2 7 5 8 1 8 6 9 1 9 7 10 1 10 7 11 1 11 8 12 2 12 9 13 1 13 10 14 2 14 10 15 1 15 11 16 2 16 12 17 1 17 12 16 1 18 16 18 1 19 17 19 2 20 17 20 1 21 18 21 2 22 18 22 1 23 2 23 1 24 2 24 1 25 3 25 1 26 3 26 1 27 6 27 1 28 6 28 1 29 8 29 1 30 9 30 1 31 9 31 1 32 11 32 1 33 20 33 1 34 20 34 1 @SUBSTRUCTURE 1 noname 1