@MOLECULE 71315701 39 39 1 SMALL USER_CHARGES @ATOM 1 F1 4.1382 3.0924 0.7132 F 1 noname -0.1661 2 F2 5.0127 2.1835 -1.1365 F 1 noname -0.1661 3 F3 5.3489 1.2144 0.8535 F 1 noname -0.1661 4 O1 -2.4307 -1.4600 -1.5101 O.3 1 noname -0.1981 5 N1 -1.2772 -0.9411 -1.2198 N.2 1 noname -0.2031 6 N2 -5.2954 -0.2231 -3.4722 N.3 1 noname -0.3281 7 C1 0.3648 -3.6682 0.8965 C.3 1 noname -0.0479 8 C2 -0.5229 -2.7503 0.0258 C.3 1 noname -0.0075 9 C3 -0.3801 -4.9730 1.1856 C.3 1 noname -0.0558 10 C4 -0.2857 -1.3949 -0.5281 C.2 1 noname 0.0452 11 C5 0.8721 -0.5603 -0.3908 C.2 1 noname -0.0275 12 C6 0.4987 -5.8817 2.0475 C.3 1 noname -0.0654 13 C7 2.0285 -0.9514 0.3481 C.2 1 noname -0.0225 14 C8 0.9509 0.7413 -0.9931 C.2 1 noname -0.0225 15 C9 3.2170 1.1033 -0.0997 C.2 1 noname 0.0013 16 C10 3.1774 -0.1720 0.5082 C.2 1 noname -0.0182 17 C11 2.1014 1.5593 -0.8512 C.2 1 noname -0.0182 18 C12 4.4541 1.9148 0.0864 C.3 1 noname 0.4161 19 C13 -3.1721 -0.5491 -2.3082 C.3 1 noname 0.0894 20 C14 -4.5320 -1.1609 -2.6505 C.3 1 noname 0.0187 21 H1 0.5955 -3.1658 1.8359 H 1 noname 0.0270 22 H2 1.2907 -3.8884 0.3653 H 1 noname 0.0270 23 H3 -1.5601 -2.8338 0.3504 H 1 noname 0.0333 24 H4 -0.6416 -3.3348 -0.8866 H 1 noname 0.0333 25 H5 -1.3060 -4.7529 1.7168 H 1 noname 0.0264 26 H6 -0.6108 -5.4755 0.2462 H 1 noname 0.0264 27 H7 -0.0319 -6.8113 2.2535 H 1 noname 0.0230 28 H8 0.7295 -5.3793 2.9869 H 1 noname 0.0230 29 H9 1.4247 -6.1019 1.5163 H 1 noname 0.0230 30 H10 2.1087 -1.8349 0.8201 H 1 noname 0.0629 31 H11 0.1601 1.1335 -1.5597 H 1 noname 0.0629 32 H12 3.9528 -0.5535 1.0622 H 1 noname 0.0629 33 H13 2.1013 2.4895 -1.3083 H 1 noname 0.0629 34 H14 -3.3199 0.3797 -1.7573 H 1 noname 0.0608 35 H15 -2.6246 -0.3429 -3.2279 H 1 noname 0.0608 36 H16 -5.0795 -1.3671 -1.7308 H 1 noname 0.0450 37 H17 -4.3843 -2.0898 -3.2014 H 1 noname 0.0450 38 H18 -6.2038 -0.6318 -3.7008 H 1 noname 0.1185 39 H19 -5.4340 0.6478 -2.9556 H 1 noname 0.1185 @BOND 1 1 18 1 2 2 18 1 3 3 18 1 4 4 5 1 5 4 19 1 6 5 10 2 7 6 20 1 8 6 38 1 9 6 39 1 10 7 8 1 11 7 9 1 12 7 21 1 13 7 22 1 14 8 10 1 15 8 23 1 16 8 24 1 17 9 12 1 18 9 25 1 19 9 26 1 20 10 11 1 21 11 13 2 22 11 14 1 23 12 27 1 24 12 28 1 25 12 29 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 19 20 1 36 19 34 1 37 19 35 1 38 20 36 1 39 20 37 1 @SUBSTRUCTURE 1 noname 1