@MOLECULE 125427 60 63 1 SMALL USER_CHARGES @ATOM 1 F1 -8.0723 -3.7804 0.6326 F 1 noname -0.1465 2 C1 -7.5279 -2.7244 1.1626 C.2 1 noname 0.0783 3 C2 -7.9731 -2.1781 2.3995 C.2 1 noname 0.0787 4 C3 -6.4400 -2.0314 0.5426 C.2 1 noname 0.0228 5 O1 -8.9966 -2.7693 3.0517 O.3 1 noname -0.2346 6 N1 -7.3830 -1.0603 2.9454 N.2 1 noname -0.2146 7 C4 -5.8268 -0.8687 1.1072 C.2 1 noname 0.0044 8 C5 -10.2239 -2.1975 2.6237 C.3 1 noname 0.0441 9 C6 -6.3379 -0.4000 2.3449 C.2 1 noname 0.0025 10 N2 -4.8153 -0.3137 0.3906 N.3 1 noname 0.0154 11 C7 -3.8580 0.6639 0.3307 C.2 1 noname 0.0634 12 N3 -3.2468 0.3671 -0.8665 N.2 1 noname -0.2450 13 C8 -3.3769 1.7707 1.1560 C.2 1 noname 0.0136 14 C9 -2.1743 1.0277 -1.3691 C.2 1 noname 0.0190 15 C10 -3.8650 2.3769 2.3927 C.2 1 noname 0.0827 16 C11 -2.2102 2.3918 0.6383 C.2 1 noname 0.0047 17 C12 -1.6354 2.0804 -0.6101 C.2 1 noname -0.0270 18 N4 -3.2895 3.5173 2.9462 N.2 1 noname -0.2171 19 N5 -4.8969 1.8405 3.0909 N.2 1 noname -0.2385 20 C13 -0.5969 2.9480 -1.1825 C.3 1 noname 0.0422 21 C14 -3.7077 4.0523 4.1311 C.2 1 noname 0.0964 22 C15 -5.3498 2.3408 4.2790 C.2 1 noname 0.0686 23 N6 -1.1810 4.0918 -1.9179 N.3 1 noname -0.2895 24 C16 0.3064 3.4692 -0.0629 C.3 1 noname -0.0426 25 C17 0.2469 2.1968 -2.2143 C.3 1 noname -0.0426 26 N7 -4.7382 3.4441 4.7861 N.2 1 noname -0.2274 27 N8 -3.1213 5.1459 4.6369 N.3 1 noname -0.0771 28 C18 -6.4601 1.7079 4.9848 C.3 1 noname 0.0696 29 C19 -0.1381 4.7482 -2.7741 C.3 1 noname 0.0227 30 C20 -2.0936 4.9733 -1.1179 C.3 1 noname 0.0227 31 C21 -0.2416 6.3299 -2.8520 C.3 1 noname 0.0595 32 C22 -1.3739 6.2462 -0.5576 C.3 1 noname 0.0595 33 O2 -0.7121 6.9967 -1.6304 O.3 1 noname -0.3786 34 H1 -6.0596 -2.4081 -0.4068 H 1 noname 0.0672 35 H2 -10.8187 -1.9204 3.4941 H 1 noname 0.0535 36 H3 -10.0217 -1.3099 2.0243 H 1 noname 0.0535 37 H4 -10.7734 -2.9233 2.0243 H 1 noname 0.0535 38 H5 -5.9228 0.4777 2.8403 H 1 noname 0.0857 39 H6 -4.7454 -0.8589 -0.4567 H 1 noname 0.1358 40 H7 -1.7662 0.7277 -2.3342 H 1 noname 0.0843 41 H8 -1.7231 3.1593 1.2397 H 1 noname 0.0635 42 H9 0.7407 2.6268 0.4754 H 1 noname 0.0252 43 H10 1.1036 4.0761 -0.4921 H 1 noname 0.0252 44 H11 -0.2817 4.0761 0.6255 H 1 noname 0.0252 45 H12 0.9649 1.5576 -1.7006 H 1 noname 0.0252 46 H13 -0.4034 1.5841 -2.8388 H 1 noname 0.0252 47 H14 0.7803 2.9135 -2.8388 H 1 noname 0.0252 48 H15 -2.1294 5.1446 4.8276 H 1 noname 0.1273 49 H16 -3.6711 5.9714 4.8276 H 1 noname 0.1273 50 H17 -6.3048 1.7964 6.0601 H 1 noname 0.0312 51 H18 -7.3929 2.2005 4.7107 H 1 noname 0.0312 52 H19 -6.5114 0.6542 4.7107 H 1 noname 0.0312 53 H20 0.8057 4.5197 -2.2791 H 1 noname 0.0454 54 H21 -0.3320 4.3714 -3.7784 H 1 noname 0.0454 55 H22 -2.8470 5.3216 -1.8244 H 1 noname 0.0454 56 H23 -2.3895 4.3732 -0.2574 H 1 noname 0.0454 57 H24 0.7720 6.7089 -2.9830 H 1 noname 0.0579 58 H25 -1.0099 6.5624 -3.5894 H 1 noname 0.0579 59 H26 -2.1426 6.9159 -0.1720 H 1 noname 0.0579 60 H27 -0.5683 5.9085 0.0944 H 1 noname 0.0579 @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 11 12 2 13 11 13 1 14 12 14 1 15 13 15 1 16 13 16 2 17 14 17 2 18 15 18 2 19 15 19 1 20 16 17 1 21 17 20 1 22 18 21 1 23 19 22 2 24 20 23 1 25 20 24 1 26 20 25 1 27 21 26 2 28 21 27 1 29 22 28 1 30 22 26 1 31 23 29 1 32 23 30 1 33 29 31 1 34 30 32 1 35 31 33 1 36 32 33 1 37 4 34 1 38 8 35 1 39 8 36 1 40 8 37 1 41 9 38 1 42 10 39 1 43 14 40 1 44 16 41 1 45 24 42 1 46 24 43 1 47 24 44 1 48 25 45 1 49 25 46 1 50 25 47 1 51 27 48 1 52 27 49 1 53 28 50 1 54 28 51 1 55 28 52 1 56 29 53 1 57 29 54 1 58 30 55 1 59 30 56 1 60 31 57 1 61 31 58 1 62 32 59 1 63 32 60 1 @SUBSTRUCTURE 1 noname 1