@MOLECULE 50363450 54 58 1 SMALL USER_CHARGES @ATOM 1 F1 6.4689 -6.1005 -2.5312 F 1 noname -0.1600 2 C1 5.5497 -6.3460 -3.4186 C.2 1 noname 0.0348 3 C2 4.2068 -6.2624 -3.0695 C.2 1 noname 0.0667 4 C3 5.9104 -6.6917 -4.7156 C.2 1 noname -0.0136 5 N1 3.8591 -5.9291 -1.8191 N.3 1 noname 0.0362 6 C4 3.2247 -6.5247 -4.0175 C.2 1 noname 0.0348 7 C5 4.9283 -6.9539 -5.6637 C.2 1 noname -0.0515 8 C6 2.5231 -5.9118 -1.7166 C.2 1 noname -0.0030 9 F2 1.9678 -6.4465 -3.6908 F 1 noname -0.1600 10 C7 3.5854 -6.8704 -5.3146 C.2 1 noname -0.0136 11 N2 1.7140 -6.9714 -1.9414 N.2 1 noname -0.2260 12 N3 1.7857 -4.8327 -1.3732 N.3 1 noname 0.0142 13 C8 0.4645 -6.5458 -1.7183 C.2 1 noname 0.0217 14 C9 0.4931 -5.1987 -1.3354 C.2 1 noname 0.0619 15 C10 2.3527 -3.5442 -1.1775 C.3 1 noname -0.0299 16 C11 -0.7996 -7.1683 -1.7827 C.2 1 noname 0.0498 17 N4 -0.6272 -4.4857 -1.0097 N.2 1 noname -0.2202 18 C12 2.3970 -2.7429 -2.4730 C.3 1 noname -0.0340 19 C13 1.6427 -2.5853 -0.2118 C.3 1 noname -0.0340 20 N5 -1.8986 -6.4139 -1.4396 N.2 1 noname -0.2433 21 C14 -1.8434 -5.0983 -1.0504 C.2 1 noname 0.0861 22 C15 2.8145 -1.3689 -1.9735 C.3 1 noname -0.0514 23 C16 2.1410 -1.1970 -0.6093 C.3 1 noname -0.0514 24 N6 -2.9584 -4.4332 -0.7187 N.3 1 noname 0.0277 25 C17 -3.4721 -3.8500 -1.8103 C.2 1 noname -0.0405 26 C18 -4.6378 -3.0990 -1.7137 C.2 1 noname -0.0438 27 C19 -2.8392 -3.9959 -3.0392 C.2 1 noname -0.0438 28 C20 -5.1706 -2.4940 -2.8460 C.2 1 noname -0.0305 29 C21 -3.3720 -3.3908 -4.1715 C.2 1 noname -0.0305 30 C22 -4.5377 -2.6399 -4.0749 C.2 1 noname -0.0205 31 O1 -5.0551 -2.0522 -5.1746 O.3 1 noname -0.2809 32 C23 -4.5094 -0.7489 -5.3160 C.3 1 noname 0.0423 33 H1 6.9635 -6.7572 -4.9894 H 1 noname 0.0653 34 H2 4.5041 -5.7229 -1.0698 H 1 noname 0.1372 35 H3 5.2112 -7.2251 -6.6808 H 1 noname 0.0624 36 H4 2.8153 -7.0761 -6.0581 H 1 noname 0.0653 37 H5 3.2985 -3.9062 -0.7743 H 1 noname 0.0510 38 H6 -0.9240 -8.2066 -2.0901 H 1 noname 0.0865 39 H7 3.1985 -3.1397 -3.0961 H 1 noname 0.0285 40 H8 1.3838 -2.6711 -2.8684 H 1 noname 0.0285 41 H9 0.5743 -2.6275 -0.4238 H 1 noname 0.0285 42 H10 2.0073 -2.7931 0.7942 H 1 noname 0.0285 43 H11 3.8918 -1.3946 -1.8093 H 1 noname 0.0267 44 H12 2.3838 -0.6308 -2.6501 H 1 noname 0.0267 45 H13 1.2659 -0.5629 -0.7518 H 1 noname 0.0267 46 H14 2.9125 -0.9087 0.1047 H 1 noname 0.0267 47 H15 -3.3510 -4.3799 0.2104 H 1 noname 0.1373 48 H16 -5.1341 -2.9846 -0.7500 H 1 noname 0.0640 49 H17 -1.9251 -4.5847 -3.1149 H 1 noname 0.0640 50 H18 -6.0847 -1.9051 -2.7702 H 1 noname 0.0650 51 H19 -2.8757 -3.5052 -5.1352 H 1 noname 0.0650 52 H20 -4.3303 -0.3210 -4.3297 H 1 noname 0.0535 53 H21 -3.5686 -0.8063 -5.8635 H 1 noname 0.0535 54 H22 -5.2105 -0.1189 -5.8635 H 1 noname 0.0535 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 1 9 6 10 2 10 7 10 1 11 8 11 2 12 8 12 1 13 11 13 1 14 12 14 1 15 12 15 1 16 13 16 1 17 13 14 2 18 14 17 1 19 15 18 1 20 15 19 1 21 16 20 2 22 17 21 2 23 18 22 1 24 19 23 1 25 20 21 1 26 21 24 1 27 22 23 1 28 24 25 1 29 25 26 2 30 25 27 1 31 26 28 1 32 27 29 2 33 28 30 2 34 29 30 1 35 30 31 1 36 31 32 1 37 4 33 1 38 5 34 1 39 7 35 1 40 10 36 1 41 15 37 1 42 16 38 1 43 18 39 1 44 18 40 1 45 19 41 1 46 19 42 1 47 22 43 1 48 22 44 1 49 23 45 1 50 23 46 1 51 24 47 1 52 26 48 1 53 27 49 1 54 28 50 1 55 29 51 1 56 32 52 1 57 32 53 1 58 32 54 1 @SUBSTRUCTURE 1 noname 1