@MOLECULE DB04017 32 32 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.2797 -1.0390 1.6716 Cl 1 noname -0.0688 2 C1 0.3373 0.0141 0.3549 C.2 1 noname 0.0244 3 C2 1.3128 -0.1474 -0.6220 C.2 1 noname 0.0338 4 C3 -0.5909 1.0432 0.2469 C.2 1 noname 0.0135 5 O1 2.2142 -1.1469 -0.5171 O.3 1 noname -0.2670 6 C4 1.3602 0.7203 -1.7069 C.2 1 noname -0.0110 7 C5 -0.5434 1.9108 -0.8380 C.2 1 noname -0.0160 8 C6 3.3486 -0.6875 0.2030 C.3 1 noname 0.0547 9 C7 0.4321 1.7494 -1.8149 C.2 1 noname -0.0162 10 Cl2 -1.6699 3.1598 -0.9690 Cl 1 noname -0.0860 11 C8 4.3702 -1.8203 0.3218 C.3 1 noname -0.0162 12 C9 5.5924 -1.3254 1.0978 C.3 1 noname 0.0010 13 N1 6.5686 -2.4078 1.2113 N.3 1 noname -0.2953 14 C10 7.7366 -1.9349 1.9528 C.3 1 noname 0.0597 15 C11 5.9656 -3.5356 1.9197 C.3 1 noname -0.0124 16 C12 8.6460 -2.9433 2.0586 C.1 1 noname -0.1005 17 C13 9.4432 -3.8273 2.1513 C.1 1 noname -0.1091 18 H1 -1.3558 1.1698 1.0130 H 1 noname 0.0654 19 H2 2.1252 0.5937 -2.4730 H 1 noname 0.0651 20 H3 3.7857 0.0981 -0.4133 H 1 noname 0.0572 21 H4 2.9836 -0.4557 1.2035 H 1 noname 0.0572 22 H5 0.4693 2.4298 -2.6657 H 1 noname 0.0639 23 H6 3.9072 -2.5993 0.9276 H 1 noname 0.0303 24 H7 4.7093 -2.0455 -0.6893 H 1 noname 0.0303 25 H8 6.0711 -0.5511 0.4982 H 1 noname 0.0431 26 H9 5.2690 -1.1049 2.1150 H 1 noname 0.0431 27 H10 8.2240 -1.1635 1.3565 H 1 noname 0.0569 28 H11 7.4218 -1.7173 2.9734 H 1 noname 0.0569 29 H12 6.0505 -3.3768 2.9947 H 1 noname 0.0394 30 H13 4.9135 -3.6158 1.6463 H 1 noname 0.0394 31 H14 6.4831 -4.4551 1.6463 H 1 noname 0.0394 32 H15 9.6324 -4.0370 3.2041 H 1 noname 0.1238 @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 1 8 6 9 2 9 7 10 1 10 7 9 1 11 8 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 14 16 1 17 16 17 3 18 4 18 1 19 6 19 1 20 8 20 1 21 8 21 1 22 9 22 1 23 11 23 1 24 11 24 1 25 12 25 1 26 12 26 1 27 14 27 1 28 14 28 1 29 15 29 1 30 15 30 1 31 15 31 1 32 17 32 1 @SUBSTRUCTURE 1 noname 1