@MOLECULE DB07218 28 30 1 SMALL USER_CHARGES @ATOM 1 Cl1 3.8045 1.2267 -0.1029 Cl 1 noname -0.0869 2 C1 2.1182 1.2025 -0.0607 C.2 1 noname -0.0127 3 C2 1.4414 -0.0485 0.0059 C.2 1 noname 0.0193 4 C3 1.4022 2.4354 -0.0927 C.2 1 noname -0.0033 5 C4 0.0172 -0.0316 0.0439 C.2 1 noname 0.0123 6 C5 -0.0205 2.4701 -0.0603 C.2 1 noname -0.0164 7 C6 -0.6969 -1.2536 0.1024 C.2 1 noname 0.0888 8 C7 -0.7164 1.2252 0.0071 C.2 1 noname 0.0294 9 O1 -0.0952 -2.3478 0.1593 O.2 1 noname -0.2901 10 C8 -2.1037 -1.2005 0.0946 C.2 1 noname 0.0490 11 N1 -2.0859 1.2089 0.0463 N.3 1 noname 0.0541 12 C9 -2.7726 0.0253 0.1074 C.2 1 noname 0.0155 13 C10 -3.0748 -2.1862 -0.0038 C.2 1 noname 0.0438 14 O2 -2.7419 2.3310 0.0254 O.3 1 noname -0.3000 15 N2 -4.0838 -0.2473 0.1128 N.3 1 noname 0.0037 16 N3 -4.2436 -1.5297 0.0348 N.2 1 noname -0.3346 17 C11 -2.8690 -3.6267 -0.1235 C.3 1 noname 0.0475 18 C12 -5.1200 0.7058 0.1908 C.3 1 noname -0.0263 19 H1 1.9947 -0.9874 0.0272 H 1 noname 0.0646 20 H2 1.9553 3.3733 -0.1430 H 1 noname 0.0638 21 H3 -0.5587 3.4177 -0.0862 H 1 noname 0.0641 22 H4 -2.9107 2.6199 0.9252 H 1 noname 0.2387 23 H5 -2.8059 -4.0685 0.8710 H 1 noname 0.0296 24 H6 -3.7048 -4.0693 -0.6653 H 1 noname 0.0296 25 H7 -1.9427 -3.8176 -0.6653 H 1 noname 0.0296 26 H8 -5.3452 0.9129 1.2369 H 1 noname 0.0454 27 H9 -4.8054 1.6256 -0.3022 H 1 noname 0.0454 28 H10 -6.0104 0.3155 -0.3022 H 1 noname 0.0454 @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 8 1 9 7 9 2 10 7 10 1 11 8 11 1 12 10 12 2 13 10 13 1 14 11 14 1 15 11 12 1 16 12 15 1 17 13 16 2 18 13 17 1 19 15 18 1 20 15 16 1 21 3 19 1 22 4 20 1 23 6 21 1 24 14 22 1 25 17 23 1 26 17 24 1 27 17 25 1 28 18 26 1 29 18 27 1 30 18 28 1 @SUBSTRUCTURE 1 noname 1