@MOLECULE 76966873 30 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 -4.3384 -1.1031 0.0972 Cl 1 noname -0.0843 2 F1 -0.9442 3.4325 -1.7830 F 1 noname -0.1664 3 F2 0.3021 2.6982 -3.4918 F 1 noname -0.1664 4 F3 -1.6931 1.7692 -3.0811 F 1 noname -0.1664 5 O1 1.2354 2.0547 -1.0679 O.3 1 noname -0.1638 6 O2 3.1150 1.6826 0.3679 O.2 1 noname -0.2302 7 N1 0.9237 1.2765 1.1724 N.3 1 noname -0.1075 8 C1 0.0947 1.2941 -1.5730 C.3 1 noname 0.2608 9 C2 -0.8165 0.7779 -0.4732 C.2 1 noname 0.0067 10 C3 -0.3271 0.8163 0.8887 C.2 1 noname 0.0031 11 C4 -0.5795 2.3282 -2.5092 C.3 1 noname 0.4337 12 C5 -2.1003 0.1673 -0.6976 C.2 1 noname 0.0009 13 C6 -1.0669 0.2742 1.9784 C.2 1 noname -0.0173 14 C7 1.8789 1.6700 0.1829 C.2 1 noname 0.1376 15 C8 0.6148 0.1385 -2.4630 C.1 1 noname -0.0534 16 C9 -2.8411 -0.3819 0.3865 C.2 1 noname -0.0056 17 C10 -2.3277 -0.3271 1.7133 C.2 1 noname -0.0175 18 C11 1.0158 -0.7526 -3.1491 C.1 1 noname -0.0514 19 C12 1.4397 -1.6944 -3.8744 C.2 1 noname -0.0502 20 C13 0.5785 -2.5169 -4.4667 C.2 1 noname -0.0599 21 C14 -0.8276 -2.3340 -4.2818 C.3 1 noname -0.0460 22 H1 -2.4829 0.1278 -1.6423 H 1 noname 0.0643 23 H2 1.1830 1.3415 2.1049 H 1 noname 0.1396 24 H3 -0.6999 0.3165 2.9291 H 1 noname 0.0640 25 H4 -2.8698 -0.7232 2.4813 H 1 noname 0.0638 26 H5 2.4132 -1.8210 -4.0024 H 1 noname 0.0716 27 H6 0.9110 -3.2557 -5.0357 H 1 noname 0.0579 28 H7 -1.3010 -2.1563 -5.2474 H 1 noname 0.0273 29 H8 -1.2537 -3.2285 -3.8274 H 1 noname 0.0273 30 H9 -1.0000 -1.4779 -3.6296 H 1 noname 0.0273 @BOND 1 1 16 1 2 2 11 1 3 3 11 1 4 4 11 1 5 5 8 1 6 5 14 1 7 6 14 2 8 7 10 1 9 7 14 1 10 7 23 1 11 8 9 1 12 8 11 1 13 8 15 1 14 9 10 2 15 9 12 1 16 10 13 1 17 12 16 2 18 12 22 1 19 13 17 2 20 13 24 1 21 15 18 3 22 16 17 1 23 17 25 1 24 18 19 1 25 19 20 2 26 19 26 1 27 20 21 1 28 20 27 1 29 21 28 1 30 21 29 1 31 21 30 1 @SUBSTRUCTURE 1 noname 1