@MOLECULE 50315451 33 36 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.5587 -3.2260 -1.1980 Cl 1 noname -0.0833 2 C1 1.6686 -1.5478 -1.0658 C.2 1 noname -0.0045 3 C2 0.4853 -0.7910 -0.7926 C.2 1 noname -0.0039 4 C3 2.9443 -0.9168 -1.2299 C.2 1 noname -0.0168 5 C4 0.6404 0.6259 -0.6919 C.2 1 noname -0.0174 6 C5 3.0942 0.4952 -1.1271 C.2 1 noname -0.0331 7 C6 1.9107 1.2345 -0.8542 C.2 1 noname -0.0828 8 C7 -0.2487 1.6749 -0.4466 C.2 1 noname -0.0194 9 N1 1.8161 2.5571 -0.7085 N.3 1 noname -0.0702 10 C8 0.5319 2.8405 -0.4565 C.2 1 noname -0.0966 11 C9 -1.6058 1.6193 -0.1673 C.2 1 noname 0.0277 12 C10 -2.4687 2.6477 -0.2129 C.2 1 noname 0.0599 13 O1 -2.1171 3.8746 -0.6551 O.3 1 noname -0.1810 14 C11 -3.7771 2.5029 0.3690 C.2 1 noname 0.1082 15 C12 -3.0171 4.6711 -0.0669 C.2 1 noname 0.0608 16 O2 -4.4621 1.4894 0.6258 O.2 1 noname -0.2792 17 C13 -4.0409 3.9111 0.5597 C.2 1 noname 0.0287 18 C14 -3.0660 6.0938 -0.1446 C.2 1 noname 0.0030 19 C15 -5.1775 4.5220 1.1585 C.2 1 noname 0.0574 20 C16 -4.2449 6.7039 0.3733 C.2 1 noname 0.0353 21 O3 -6.1089 3.8061 1.8238 O.3 1 noname -0.2747 22 C17 -5.2723 5.9381 1.0124 C.2 1 noname 0.0003 23 O4 -4.3973 8.0403 0.2585 O.3 1 noname -0.2805 24 H1 -0.4858 -1.2700 -0.6674 H 1 noname 0.0645 25 H2 3.8233 -1.5267 -1.4384 H 1 noname 0.0638 26 H3 4.0611 0.9830 -1.2504 H 1 noname 0.0643 27 H4 2.5749 3.2202 -0.7763 H 1 noname 0.1522 28 H5 0.1785 3.8575 -0.2865 H 1 noname 0.0795 29 H6 -2.0419 0.6623 0.1194 H 1 noname 0.0658 30 H7 -2.2525 6.6790 -0.5735 H 1 noname 0.0678 31 H8 -5.9760 3.9082 2.7691 H 1 noname 0.2182 32 H9 -6.1539 6.4491 1.3996 H 1 noname 0.0677 33 H10 -4.4421 8.4336 1.1331 H 1 noname 0.2181 @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 11 12 2 14 12 13 1 15 12 14 1 16 13 15 1 17 14 16 2 18 14 17 1 19 15 18 1 20 15 17 2 21 17 19 1 22 18 20 2 23 19 21 1 24 19 22 2 25 20 23 1 26 20 22 1 27 3 24 1 28 4 25 1 29 6 26 1 30 9 27 1 31 10 28 1 32 11 29 1 33 18 30 1 34 21 31 1 35 22 32 1 36 23 33 1 @SUBSTRUCTURE 1 noname 1