@MOLECULE DB04411 32 32 1 SMALL USER_CHARGES @ATOM 1 Cl1 -3.0937 -3.9474 -4.7699 Cl 1 noname -0.0951 2 C1 -1.9709 -3.4433 -3.5161 C.3 1 noname 0.1801 3 Cl2 -1.5171 -4.8339 -2.5427 Cl 1 noname -0.0951 4 C2 -2.6080 -2.4415 -2.6663 C.2 1 noname 0.0561 5 O1 -2.1095 -1.2997 -2.5648 O.2 1 noname -0.2850 6 N1 -3.7272 -2.7461 -1.9952 N.3 1 noname -0.0638 7 C3 -4.3425 -1.7786 -1.1746 C.3 1 noname 0.0674 8 C4 -5.7654 -1.5177 -1.6727 C.3 1 noname 0.0970 9 C5 -4.3924 -2.2896 0.2667 C.3 1 noname 0.0618 10 O2 -5.7191 -1.0434 -3.0104 O.3 1 noname -0.3865 11 C6 -6.4025 -0.5159 -0.8230 C.2 1 noname -0.0747 12 O3 -3.0718 -2.5317 0.7291 O.3 1 noname -0.3945 13 C7 -7.1178 -0.9116 0.3013 C.2 1 noname -0.0526 14 C8 -6.2939 0.8335 -1.1382 C.2 1 noname -0.0526 15 C9 -7.7244 0.0422 1.1103 C.2 1 noname -0.0672 16 C10 -6.9004 1.7872 -0.3292 C.2 1 noname -0.0672 17 C11 -7.6157 1.3916 0.7951 C.2 1 noname -0.0360 18 N2 -8.2005 2.3110 1.5750 N.3 1 noname -0.1559 19 H1 -1.1242 -2.8645 -3.8851 H 1 noname 0.0743 20 H2 -4.0969 -3.6795 -2.1050 H 1 noname 0.1316 21 H3 -3.7170 -0.8904 -1.2639 H 1 noname 0.0524 22 H4 -6.3812 -2.4170 -1.6804 H 1 noname 0.0669 23 H5 -4.7784 -1.4878 0.8961 H 1 noname 0.0581 24 H6 -4.8823 -3.2633 0.2629 H 1 noname 0.0581 25 H7 -5.6982 -1.7896 -3.6140 H 1 noname 0.2109 26 H8 -3.0641 -2.5332 1.6890 H 1 noname 0.2100 27 H9 -7.2030 -1.9698 0.5485 H 1 noname 0.0627 28 H10 -5.7330 1.1438 -2.0198 H 1 noname 0.0627 29 H11 -8.2853 -0.2681 1.9919 H 1 noname 0.0639 30 H12 -6.8152 2.8454 -0.5764 H 1 noname 0.0639 31 H13 -7.6828 3.1269 1.8689 H 1 noname 0.1242 32 H14 -9.1589 2.1881 1.8689 H 1 noname 0.1242 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 7 6 1 7 7 8 1 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 1 12 11 13 2 13 11 14 1 14 13 15 1 15 14 16 2 16 15 17 2 17 16 17 1 18 17 18 1 19 2 19 1 20 6 20 1 21 7 21 1 22 8 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 12 26 1 27 13 27 1 28 14 28 1 29 15 29 1 30 16 30 1 31 18 31 1 32 18 32 1 @SUBSTRUCTURE 1 noname 1