@MOLECULE DB01511 30 32 1 SMALL USER_CHARGES @ATOM 1 Cl1 -1.9023 -2.4574 1.5912 Cl 1 noname -0.0770 2 C1 -2.4898 -0.8986 1.3248 C.2 1 noname 0.0098 3 C2 -1.8021 -0.0308 0.4844 C.2 1 noname 0.0016 4 C3 -3.6616 -0.4819 1.9456 C.2 1 noname -0.0212 5 C4 -0.6556 -0.4385 -0.1230 C.2 1 noname 0.0139 6 C5 -2.2862 1.2535 0.2649 C.2 1 noname -0.0276 7 C6 -4.1457 0.8024 1.7261 C.2 1 noname -0.0455 8 N1 -0.5951 -1.7017 -0.3748 N.2 1 noname -0.2512 9 C7 0.2546 0.5621 -0.3710 C.2 1 noname 0.0038 10 C8 -3.4580 1.6702 0.8857 C.2 1 noname -0.0517 11 C9 0.3848 -2.3905 -1.0779 C.3 1 noname 0.1136 12 C10 1.6715 0.3007 -0.3676 C.2 1 noname 0.0052 13 C11 -0.2504 1.8907 -0.5188 C.2 1 noname 0.0040 14 C12 1.7742 -2.2611 -0.4254 C.2 1 noname 0.1406 15 N2 2.2731 -0.9208 -0.2397 N.3 1 noname -0.1298 16 C13 2.5881 1.3732 -0.4987 C.2 1 noname -0.0188 17 C14 0.6816 2.9560 -0.6739 C.2 1 noname -0.0065 18 O1 2.4337 -3.2638 -0.0757 O.2 1 noname -0.2682 19 C15 2.0846 2.6996 -0.6488 C.2 1 noname -0.0135 20 Cl2 0.1224 4.5330 -0.8890 Cl 1 noname -0.0844 21 H1 -4.2009 -1.1624 2.6046 H 1 noname 0.0638 22 H2 -1.7469 1.9340 -0.3941 H 1 noname 0.0630 23 H3 -5.0646 1.1292 2.2129 H 1 noname 0.0623 24 H4 -3.8375 2.6773 0.7136 H 1 noname 0.0622 25 H5 0.0774 -3.4342 -1.0126 H 1 noname 0.0612 26 H6 0.4194 -1.8922 -2.0467 H 1 noname 0.0612 27 H7 -1.3225 2.0872 -0.5133 H 1 noname 0.0645 28 H8 3.2392 -0.8165 0.0357 H 1 noname 0.1371 29 H9 3.6609 1.1813 -0.4843 H 1 noname 0.0640 30 H10 2.7832 3.5306 -0.7460 H 1 noname 0.0638 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 2 8 5 9 1 9 6 10 2 10 7 10 1 11 8 11 1 12 9 12 2 13 9 13 1 14 11 14 1 15 12 15 1 16 12 16 1 17 13 17 2 18 14 18 2 19 14 15 1 20 16 19 2 21 17 20 1 22 17 19 1 23 4 21 1 24 6 22 1 25 7 23 1 26 10 24 1 27 11 25 1 28 11 26 1 29 13 27 1 30 15 28 1 31 16 29 1 32 19 30 1 @SUBSTRUCTURE 1 noname 1