@MOLECULE 71315666 43 43 1 SMALL USER_CHARGES @ATOM 1 F1 4.1487 3.1046 0.6625 F 1 noname -0.2049 2 F2 5.0305 2.1456 -1.1583 F 1 noname -0.2049 3 O1 -0.2633 -7.0101 2.4762 O.3 1 noname -0.3845 4 O2 -2.4345 -1.4561 -1.5005 O.3 1 noname -0.1981 5 N1 -1.2798 -0.9381 -1.2140 N.2 1 noname -0.2031 6 N2 -5.2762 -0.2478 -3.5132 N.3 1 noname -0.3281 7 C1 0.3279 -3.6244 0.9794 C.3 1 noname -0.0454 8 C2 -0.5471 -2.7219 0.0803 C.3 1 noname -0.0074 9 C3 -0.4280 -4.9170 1.2941 C.3 1 noname -0.0292 10 C4 -0.2965 -1.3817 -0.5041 C.2 1 noname 0.0452 11 C5 0.4382 -5.8105 2.1842 C.3 1 noname 0.0463 12 C6 0.8659 -0.5519 -0.3782 C.2 1 noname -0.0284 13 C7 2.0142 -0.9327 0.3785 C.2 1 noname -0.0255 14 C8 0.9581 0.7344 -1.0110 C.2 1 noname -0.0255 15 C9 3.2199 1.1027 -0.1095 C.2 1 noname -0.0145 16 C10 3.1672 -0.1574 0.5286 C.2 1 noname -0.0292 17 C11 2.1131 1.5478 -0.8800 C.2 1 noname -0.0292 18 C12 4.4612 1.9101 0.0665 C.3 1 noname 0.2635 19 C13 -3.1638 -0.5598 -2.3258 C.3 1 noname 0.0894 20 C14 0.5406 -7.8394 3.3023 C.3 1 noname 0.0356 21 C15 -4.5254 -1.1706 -2.6635 C.3 1 noname 0.0187 22 H1 0.5551 -3.1011 1.9082 H 1 noname 0.0271 23 H2 1.2562 -3.8635 0.4606 H 1 noname 0.0271 24 H3 -1.5872 -2.7906 0.3989 H 1 noname 0.0333 25 H4 -0.6630 -3.3273 -0.8187 H 1 noname 0.0333 26 H5 -1.3563 -4.6779 1.8129 H 1 noname 0.0290 27 H6 -0.6552 -5.4403 0.3653 H 1 noname 0.0290 28 H7 0.6654 -5.2872 3.1129 H 1 noname 0.0566 29 H8 1.3665 -6.0496 1.6654 H 1 noname 0.0566 30 H9 2.0848 -1.8051 0.8722 H 1 noname 0.0629 31 H10 0.1741 1.1181 -1.5928 H 1 noname 0.0629 32 H11 3.9358 -0.5306 1.0974 H 1 noname 0.0627 33 H12 2.1227 2.4667 -1.3593 H 1 noname 0.0627 34 H13 5.1642 1.3634 0.6949 H 1 noname 0.1090 35 H14 -3.3093 0.3830 -1.7984 H 1 noname 0.0608 36 H15 -2.6082 -0.3794 -3.2460 H 1 noname 0.0608 37 H16 0.0022 -8.7602 3.5265 H 1 noname 0.0529 38 H17 0.7678 -7.3160 4.2311 H 1 noname 0.0529 39 H18 1.4690 -8.0784 2.7835 H 1 noname 0.0529 40 H19 -5.0810 -1.3510 -1.7433 H 1 noname 0.0450 41 H20 -4.3799 -2.1134 -3.1909 H 1 noname 0.0450 42 H21 -6.1857 -0.6558 -3.7388 H 1 noname 0.1185 43 H22 -5.4126 0.6362 -3.0188 H 1 noname 0.1185 @BOND 1 1 18 1 2 2 18 1 3 3 11 1 4 3 20 1 5 4 5 1 6 4 19 1 7 5 10 2 8 6 21 1 9 6 42 1 10 6 43 1 11 7 8 1 12 7 9 1 13 7 22 1 14 7 23 1 15 8 10 1 16 8 24 1 17 8 25 1 18 9 11 1 19 9 26 1 20 9 27 1 21 10 12 1 22 11 28 1 23 11 29 1 24 12 13 2 25 12 14 1 26 13 16 1 27 13 30 1 28 14 17 2 29 14 31 1 30 15 16 2 31 15 17 1 32 15 18 1 33 16 32 1 34 17 33 1 35 18 34 1 36 19 21 1 37 19 35 1 38 19 36 1 39 20 37 1 40 20 38 1 41 20 39 1 42 21 40 1 43 21 41 1 @SUBSTRUCTURE 1 noname 1