@MOLECULE 50387582 46 49 1 SMALL USER_CHARGES @ATOM 1 F1 7.1042 0.1419 -1.0495 F 1 noname -0.1466 2 C1 6.1409 0.8471 -0.5325 C.2 1 noname 0.0861 3 C2 6.3624 1.7892 0.5058 C.2 1 noname 0.1127 4 C3 4.8035 0.7290 -0.9644 C.2 1 noname 0.0413 5 O1 7.6153 1.9623 0.9779 O.3 1 noname -0.2294 6 N1 5.3343 2.5330 1.0463 N.2 1 noname -0.2075 7 C4 3.7077 1.4873 -0.4199 C.2 1 noname -0.0016 8 C5 7.8427 1.0667 2.0561 C.3 1 noname 0.0441 9 C6 4.0393 2.4202 0.6290 C.2 1 noname 0.0218 10 C7 2.3623 1.2954 -0.9183 C.2 1 noname 0.0561 11 C8 1.2998 2.0370 -0.3559 C.2 1 noname 0.1129 12 C9 2.0032 0.3982 -1.9731 C.2 1 noname 0.0174 13 O2 1.5664 2.8025 0.5957 O.2 1 noname -0.2668 14 N2 -0.0029 1.9775 -0.7788 N.3 1 noname -0.1593 15 C10 0.6777 0.2874 -2.4187 C.2 1 noname 0.0010 16 N3 -0.9946 2.7185 -0.1967 N.3 1 noname -0.1028 17 C11 -0.3288 1.1097 -1.8012 C.2 1 noname 0.0605 18 C12 0.2863 -0.5742 -3.4509 C.2 1 noname 0.0273 19 C13 -1.6154 1.9738 0.9075 C.3 1 noname 0.0143 20 C14 -0.7136 4.0684 0.3244 C.3 1 noname 0.0143 21 N4 -1.6234 1.0300 -2.2189 N.2 1 noname -0.2229 22 N5 -1.0311 -0.5826 -3.8097 N.2 1 noname -0.2493 23 C15 1.2555 -1.4356 -4.1218 C.3 1 noname 0.0387 24 C16 -2.6035 2.9524 1.4808 C.3 1 noname -0.0377 25 C17 -1.8947 4.2791 1.2608 C.3 1 noname -0.0377 26 C18 -1.9974 0.1898 -3.2256 C.2 1 noname 0.0841 27 N6 -3.2730 0.1227 -3.6306 N.3 1 noname -0.0799 28 H1 4.6062 0.0130 -1.7622 H 1 noname 0.0662 29 H2 7.7672 0.0401 1.6979 H 1 noname 0.0535 30 H3 8.8386 1.2364 2.4654 H 1 noname 0.0535 31 H4 7.0970 1.2364 2.8328 H 1 noname 0.0535 32 H5 3.2968 3.0523 1.1159 H 1 noname 0.0846 33 H6 2.7627 -0.2198 -2.4519 H 1 noname 0.0639 34 H7 -2.1688 1.1404 0.4746 H 1 noname 0.0446 35 H8 -0.8444 1.7864 1.6548 H 1 noname 0.0446 36 H9 0.2012 4.0182 0.9148 H 1 noname 0.0446 37 H10 -0.7895 4.7723 -0.5044 H 1 noname 0.0446 38 H11 1.8497 -1.9637 -3.3760 H 1 noname 0.0296 39 H12 0.7290 -2.1584 -4.7451 H 1 noname 0.0296 40 H13 1.9115 -0.8280 -4.7451 H 1 noname 0.0296 41 H14 -3.5006 2.9325 0.8620 H 1 noname 0.0280 42 H15 -2.6772 2.7731 2.5534 H 1 noname 0.0280 43 H16 -1.4839 4.5804 2.2244 H 1 noname 0.0280 44 H17 -2.5979 4.9295 0.7407 H 1 noname 0.0280 45 H18 -3.7997 0.9709 -3.7832 H 1 noname 0.1273 46 H19 -3.7077 -0.7761 -3.7832 H 1 noname 0.1273 @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 2 9 7 10 1 10 7 9 1 11 10 11 1 12 10 12 2 13 11 13 2 14 11 14 1 15 12 15 1 16 14 16 1 17 14 17 1 18 15 18 1 19 15 17 2 20 16 19 1 21 16 20 1 22 17 21 1 23 18 22 2 24 18 23 1 25 19 24 1 26 20 25 1 27 21 26 2 28 22 26 1 29 24 25 1 30 26 27 1 31 4 28 1 32 8 29 1 33 8 30 1 34 8 31 1 35 9 32 1 36 12 33 1 37 19 34 1 38 19 35 1 39 20 36 1 40 20 37 1 41 23 38 1 42 23 39 1 43 23 40 1 44 24 41 1 45 24 42 1 46 25 43 1 47 25 44 1 48 27 45 1 49 27 46 1 @SUBSTRUCTURE 1 noname 1