@MOLECULE 71587736 32 34 1 SMALL USER_CHARGES @ATOM 1 Cl1 -4.6271 -0.5722 0.5366 Cl 1 noname -0.0844 2 F1 -0.6057 3.8196 1.1749 F 1 noname -0.1671 3 F2 -0.3993 4.8322 -0.8111 F 1 noname -0.1671 4 F3 -2.3288 3.8424 -0.2544 F 1 noname -0.1671 5 O1 0.9759 2.5658 -0.5619 O.3 1 noname -0.1702 6 O2 2.9539 1.2920 -0.9879 O.2 1 noname -0.2309 7 N1 1.1704 0.3136 0.2216 N.3 1 noname -0.1085 8 C1 -0.4576 1.6914 -4.5210 C.3 1 noname -0.0231 9 C2 0.2726 0.5483 -5.2288 C.3 1 noname -0.0464 10 C3 -1.2304 0.4464 -4.9613 C.3 1 noname -0.0464 11 C4 -0.2028 1.6220 -3.1156 C.2 1 noname -0.0679 12 C5 -0.4633 2.4469 -0.7720 C.3 1 noname 0.2188 13 C6 -0.7399 2.5222 -2.2971 C.2 1 noname -0.0560 14 C7 -1.0755 1.2050 -0.1503 C.2 1 noname 0.0034 15 C8 -0.9637 3.7734 -0.1477 C.3 1 noname 0.4258 16 C9 -0.1781 0.1831 0.3417 C.2 1 noname 0.0008 17 C10 -2.4888 0.9437 -0.0790 C.2 1 noname -0.0014 18 C11 1.8110 1.3754 -0.4885 C.2 1 noname 0.1353 19 C12 -0.6533 -1.0405 0.8904 C.2 1 noname -0.0178 20 C13 -2.9669 -0.2816 0.4638 C.2 1 noname -0.0061 21 C14 -2.0568 -1.2648 0.9462 C.2 1 noname -0.0176 22 H1 -0.9568 2.5369 -4.9943 H 1 noname 0.0346 23 H2 0.4386 0.8144 -6.2727 H 1 noname 0.0273 24 H3 0.9218 -0.0837 -4.6227 H 1 noname 0.0273 25 H4 -1.7782 0.6642 -5.8781 H 1 noname 0.0273 26 H5 -1.5494 -0.2419 -4.1786 H 1 noname 0.0273 27 H6 0.3735 0.9038 -2.7519 H 1 noname 0.0576 28 H7 -1.3161 3.2404 -2.6608 H 1 noname 0.0610 29 H8 -3.1514 1.6405 -0.4195 H 1 noname 0.0642 30 H9 1.7319 -0.3553 0.6440 H 1 noname 0.1396 31 H10 -0.0002 -1.7432 1.2370 H 1 noname 0.0640 32 H11 -2.4143 -2.1374 1.3351 H 1 noname 0.0638 @BOND 1 1 20 1 2 2 15 1 3 3 15 1 4 4 15 1 5 5 12 1 6 5 18 1 7 6 18 2 8 7 16 1 9 7 18 1 10 7 30 1 11 8 9 1 12 8 10 1 13 8 11 1 14 8 22 1 15 9 10 1 16 9 23 1 17 9 24 1 18 10 25 1 19 10 26 1 20 11 13 2 21 11 27 1 22 12 13 1 23 12 14 1 24 12 15 1 25 13 28 1 26 14 16 2 27 14 17 1 28 16 19 1 29 17 20 2 30 17 29 1 31 19 21 2 32 19 31 1 33 20 21 1 34 21 32 1 @SUBSTRUCTURE 1 noname 1