@MOLECULE DB07187 30 32 1 SMALL USER_CHARGES @ATOM 1 Cl1 -0.2191 -3.9984 -0.9976 Cl 1 noname -0.0831 2 C1 0.1730 -2.4889 -0.3544 C.2 1 noname -0.0025 3 C2 -0.3345 -1.3092 -0.9806 C.2 1 noname 0.0047 4 C3 1.0062 -2.4179 0.8060 C.2 1 noname -0.0087 5 C4 0.0283 -0.0642 -0.3908 C.2 1 noname 0.0374 6 C5 1.3569 -1.1646 1.3967 C.2 1 noname 0.0114 7 C6 0.8393 0.0063 0.7694 C.2 1 noname 0.0682 8 C7 -0.2656 1.2280 -0.7959 C.2 1 noname 0.0825 9 O1 1.0237 1.3042 1.0861 O.3 1 noname -0.3237 10 C8 0.3733 2.0295 0.1442 C.2 1 noname 0.0942 11 C9 -1.0620 1.6505 -1.9444 C.3 1 noname 0.0316 12 S1 0.3393 3.7890 0.0934 S 1 noname -0.0168 13 O2 0.9544 4.3144 -1.2931 O.2 1 noname -0.1795 14 O3 -1.1684 4.3128 0.2579 O.2 1 noname -0.1795 15 C10 1.3026 4.4089 1.4073 C.2 1 noname 0.1306 16 N1 0.7399 4.5548 2.6431 N.2 1 noname -0.2151 17 C11 2.6546 4.7416 1.1736 C.2 1 noname 0.0710 18 N2 1.4583 5.0237 3.6497 N.3 1 noname 0.0695 19 C12 3.4217 5.2461 2.2600 C.2 1 noname 0.0609 20 C13 2.7905 5.3849 3.5271 C.2 1 noname 0.0630 21 O4 3.4250 5.8240 4.5105 O.2 1 noname -0.2865 22 H1 -0.9683 -1.3567 -1.8661 H 1 noname 0.0645 23 H2 1.3823 -3.3395 1.2501 H 1 noname 0.0639 24 H3 1.9887 -1.1047 2.2829 H 1 noname 0.0651 25 H4 -1.4296 0.7720 -2.4746 H 1 noname 0.0281 26 H5 -1.9068 2.2475 -1.6008 H 1 noname 0.0281 27 H6 -0.4441 2.2475 -2.6151 H 1 noname 0.0281 28 H7 3.0931 4.6129 0.1841 H 1 noname 0.0658 29 H8 0.9777 5.1080 4.5340 H 1 noname 0.1594 30 H9 4.4681 5.5198 2.1248 H 1 noname 0.0676 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 5 8 1 8 6 7 1 9 7 9 1 10 8 10 2 11 8 11 1 12 9 10 1 13 10 12 1 14 12 13 2 15 12 14 2 16 12 15 1 17 15 16 2 18 15 17 1 19 16 18 1 20 17 19 2 21 18 20 1 22 19 20 1 23 20 21 2 24 3 22 1 25 4 23 1 26 6 24 1 27 11 25 1 28 11 26 1 29 11 27 1 30 17 28 1 31 18 29 1 32 19 30 1 @SUBSTRUCTURE 1 noname 1