@MOLECULE DB02103 30 32 1 SMALL USER_CHARGES @ATOM 1 Cl1 -3.5510 1.4953 4.3786 Cl 1 noname 0.0024 2 C1 -2.6291 0.5888 3.2950 C.2 1 noname 0.0965 3 N1 -2.1347 -0.6393 3.6583 N.2 1 noname -0.2322 4 N2 -2.3634 1.0655 2.0436 N.2 1 noname -0.2196 5 C2 -1.3760 -1.4384 2.8383 C.2 1 noname 0.0788 6 C3 -1.6200 0.2923 1.1740 C.2 1 noname 0.1250 7 N3 -0.9061 -2.6233 3.2517 N.3 1 noname -0.1018 8 C4 -1.1164 -0.9540 1.5456 C.2 1 noname 0.0189 9 N4 -1.2381 0.4768 -0.0977 N.3 1 noname 0.0288 10 N5 -0.4583 -1.5182 0.5261 N.2 1 noname -0.2190 11 C5 -0.5538 -0.6272 -0.4780 C.2 1 noname -0.0342 12 C6 -1.5425 1.6637 -0.8596 C.3 1 noname 0.1304 13 O1 -0.9673 2.8013 -0.2346 O.3 1 noname -0.3540 14 C7 -1.0680 1.7512 -2.3233 C.3 1 noname -0.0068 15 C8 -1.2504 3.8249 -1.1836 C.3 1 noname 0.0832 16 C9 -1.0559 3.2424 -2.5808 C.3 1 noname -0.0203 17 C10 -0.2828 4.9923 -0.9785 C.3 1 noname 0.0695 18 O2 -0.4364 5.5091 0.3352 O.3 1 noname -0.3935 19 H1 -1.5420 -3.3923 3.4075 H 1 noname 0.1258 20 H2 0.0841 -2.7473 3.4075 H 1 noname 0.1258 21 H3 -0.1314 -0.7800 -1.4711 H 1 noname 0.1016 22 H4 -2.6303 1.6331 -0.7979 H 1 noname 0.0823 23 H5 -0.0397 1.3935 -2.3748 H 1 noname 0.0311 24 H6 -1.8322 1.3069 -2.9611 H 1 noname 0.0311 25 H7 -2.2801 4.1376 -1.0104 H 1 noname 0.0628 26 H8 -0.0609 3.5170 -2.9312 H 1 noname 0.0295 27 H9 -1.9322 3.4893 -3.1802 H 1 noname 0.0295 28 H10 0.7332 4.5999 -1.0197 H 1 noname 0.0590 29 H11 -0.5825 5.8004 -1.6458 H 1 noname 0.0590 30 H12 -0.5092 4.7825 0.9584 H 1 noname 0.2101 @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 9 1 9 6 8 1 10 8 10 1 11 9 11 1 12 12 9 1 13 10 11 2 14 12 13 1 15 12 14 1 16 13 15 1 17 14 16 1 18 15 17 1 19 15 16 1 20 17 18 1 21 7 19 1 22 7 20 1 23 11 21 1 24 12 22 1 25 14 23 1 26 14 24 1 27 15 25 1 28 16 26 1 29 16 27 1 30 17 28 1 31 17 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1