@MOLECULE 50364374 61 65 1 SMALL USER_CHARGES @ATOM 1 F1 -4.2799 -4.7022 -5.2180 F 1 noname -0.1597 2 C1 -3.6221 -5.7163 -4.7369 C.2 1 noname 0.0387 3 C2 -3.0823 -5.6426 -3.3901 C.2 1 noname 0.0177 4 C3 -3.4449 -6.8734 -5.5361 C.2 1 noname 0.0408 5 N1 -3.2511 -4.5401 -2.5867 N.3 1 noname 0.0216 6 C4 -2.3274 -6.7450 -2.8638 C.2 1 noname -0.0230 7 C5 -2.7038 -7.9606 -4.9751 C.2 1 noname 0.0150 8 C6 -4.0190 -3.4828 -2.9553 C.2 1 noname -0.0034 9 C7 -2.1364 -7.9168 -3.6572 C.2 1 noname -0.0117 10 F2 -2.5368 -9.0349 -5.6896 F 1 noname -0.1671 11 N2 -5.3114 -3.6726 -3.3089 N.2 1 noname -0.2279 12 N3 -3.5591 -2.2619 -3.3127 N.3 1 noname 0.0137 13 C8 -5.6657 -2.5697 -3.9645 C.2 1 noname 0.0133 14 C9 -4.5857 -1.6933 -3.9680 C.2 1 noname 0.0605 15 C10 -2.2363 -1.7346 -3.0971 C.3 1 noname -0.0274 16 C11 -6.8599 -2.2404 -4.6292 C.2 1 noname 0.0483 17 N4 -4.6657 -0.4761 -4.5430 N.2 1 noname -0.2289 18 C12 -2.2215 -0.2274 -2.6744 C.3 1 noname -0.0103 19 C13 -1.2906 -2.0304 -4.3004 C.3 1 noname -0.0103 20 N5 -6.9128 -0.9898 -5.1628 N.2 1 noname -0.2517 21 C14 -5.8633 -0.1133 -5.0752 C.2 1 noname 0.0833 22 C15 -0.7482 0.1904 -2.3914 C.3 1 noname 0.0485 23 C16 0.1385 -1.5624 -3.8955 C.3 1 noname 0.0485 24 N6 -6.0147 1.1916 -5.2789 N.3 1 noname -0.0680 25 O1 0.1540 -0.1583 -3.4895 O.3 1 noname -0.3811 26 C17 -6.6164 2.0028 -4.2737 C.3 1 noname 0.0144 27 C18 -5.9345 1.9232 -2.8553 C.3 1 noname -0.0346 28 C19 -6.6692 3.4085 -4.9142 C.3 1 noname -0.0346 29 C20 -5.7336 3.2543 -2.0770 C.3 1 noname -0.0229 30 C21 -5.5426 4.3923 -4.5118 C.3 1 noname -0.0229 31 C22 -5.2567 4.4389 -2.9769 C.3 1 noname 0.0622 32 O2 -5.7389 5.6630 -2.4426 O.3 1 noname -0.3900 33 C23 -3.7312 4.4994 -2.8769 C.3 1 noname -0.0361 34 H1 -3.8619 -6.9250 -6.5418 H 1 noname 0.0684 35 H2 -2.7916 -4.5055 -1.6880 H 1 noname 0.1371 36 H3 -1.8997 -6.6924 -1.8626 H 1 noname 0.0641 37 H4 -1.5690 -8.7607 -3.2649 H 1 noname 0.0653 38 H5 -1.9232 -2.3257 -2.2365 H 1 noname 0.0512 39 H6 -7.7047 -2.9223 -4.7261 H 1 noname 0.0865 40 H7 -2.5549 0.3502 -3.5365 H 1 noname 0.0309 41 H8 -2.7589 -0.1548 -1.7289 H 1 noname 0.0309 42 H9 -1.2528 -3.1128 -4.4229 H 1 noname 0.0309 43 H10 -1.6141 -1.3992 -5.1280 H 1 noname 0.0309 44 H11 -0.7244 1.2791 -2.3428 H 1 noname 0.0566 45 H12 -0.4015 -0.4007 -1.5438 H 1 noname 0.0566 46 H13 0.4239 -2.1196 -3.0033 H 1 noname 0.0566 47 H14 0.7618 -1.6070 -4.7886 H 1 noname 0.0566 48 H15 -5.6854 1.5526 -6.1628 H 1 noname 0.1315 49 H16 -7.6077 1.5881 -4.0905 H 1 noname 0.0469 50 H17 -6.6205 1.3424 -2.2388 H 1 noname 0.0283 51 H18 -4.9253 1.5560 -3.0418 H 1 noname 0.0283 52 H19 -6.5369 3.2412 -5.9831 H 1 noname 0.0283 53 H20 -7.5901 3.8580 -4.5428 H 1 noname 0.0283 54 H21 -6.7205 3.5350 -1.7094 H 1 noname 0.0296 55 H22 -4.9227 3.0669 -1.3730 H 1 noname 0.0296 56 H23 -4.6348 4.0043 -4.9739 H 1 noname 0.0296 57 H24 -5.9091 5.3836 -4.7785 H 1 noname 0.0296 58 H25 -5.7228 5.6220 -1.4836 H 1 noname 0.2108 59 H26 -3.4360 4.5111 -1.8277 H 1 noname 0.0259 60 H27 -3.3001 3.6258 -3.3659 H 1 noname 0.0259 61 H28 -3.3706 5.4044 -3.3659 H 1 noname 0.0259 @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 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 25 1 28 23 25 1 29 26 24 1 30 26 27 1 31 26 28 1 32 27 29 1 33 28 30 1 34 31 29 1 35 30 31 1 36 31 32 1 37 31 33 1 38 4 34 1 39 5 35 1 40 6 36 1 41 9 37 1 42 15 38 1 43 16 39 1 44 18 40 1 45 18 41 1 46 19 42 1 47 19 43 1 48 22 44 1 49 22 45 1 50 23 46 1 51 23 47 1 52 24 48 1 53 26 49 1 54 27 50 1 55 27 51 1 56 28 52 1 57 28 53 1 58 29 54 1 59 29 55 1 60 30 56 1 61 30 57 1 62 32 58 1 63 33 59 1 64 33 60 1 65 33 61 1 @SUBSTRUCTURE 1 noname 1