@MOLECULE 136399 67 72 1 SMALL USER_CHARGES @ATOM 1 F1 6.5212 -8.7471 1.9470 F 1 noname -0.2458 2 C1 5.7761 -7.6379 1.6404 C.3 1 noname 0.1140 3 C2 4.3195 -8.0323 1.4936 C.3 1 noname 0.0297 4 C3 5.8089 -6.6617 2.8151 C.3 1 noname -0.0076 5 N1 3.8887 -8.0560 2.8763 N.3 1 noname -0.2990 6 C4 4.3901 -6.7574 3.3522 C.3 1 noname 0.0012 7 C5 2.4409 -8.2139 2.9306 C.3 1 noname 0.0117 8 C6 1.8951 -8.3515 4.3691 C.3 1 noname 0.0199 9 N2 0.4364 -8.5395 4.4257 N.3 1 noname -0.0440 10 C7 -0.5405 -7.4652 4.3017 C.2 1 noname 0.0536 11 C8 -0.1509 -9.8751 4.4230 C.3 1 noname 0.0240 12 O1 -0.5704 -6.3115 4.7817 O.2 1 noname -0.2701 13 N3 -1.4544 -8.1637 3.4503 N.3 1 noname -0.0943 14 C9 -1.5540 -9.5365 3.9228 C.3 1 noname 0.0405 15 C10 -1.9756 -7.5159 2.3411 C.2 1 noname 0.0793 16 C11 -1.9384 -10.7006 2.9893 C.3 1 noname -0.0292 17 N4 -2.0214 -6.1406 2.3358 N.2 1 noname -0.1934 18 C12 -2.4502 -8.1995 1.1712 C.2 1 noname 0.0195 19 C13 -1.9218 -12.0125 3.7765 C.3 1 noname -0.0612 20 C14 -0.9343 -10.7839 1.8379 C.3 1 noname -0.0612 21 C15 -2.4856 -5.4359 1.2769 C.2 1 noname 0.0193 22 C16 -2.9347 -7.4523 0.0783 C.2 1 noname -0.0355 23 N5 -2.9279 -6.0921 0.1853 N.3 1 noname -0.0601 24 C17 -2.6018 -4.0626 1.0658 C.2 1 noname 0.0611 25 N6 -3.3248 -5.2425 -0.6986 N.2 1 noname -0.2973 26 C18 -2.2211 -3.0077 1.9436 C.2 1 noname -0.0157 27 C19 -3.1541 -3.9961 -0.2260 C.2 1 noname 0.0443 28 C20 -2.3993 -1.6360 1.5387 C.2 1 noname -0.0226 29 C21 -1.6325 -3.3374 3.2121 C.2 1 noname -0.0226 30 C22 -2.0266 -0.5943 2.4192 C.2 1 noname -0.0105 31 C23 -1.2522 -2.3096 4.0958 C.2 1 noname -0.0105 32 C24 -1.4799 -0.9556 3.6912 C.2 1 noname -0.0068 33 C25 -1.3258 0.0165 4.6907 C.2 1 noname 0.0894 34 N7 -0.6750 -0.1520 5.8541 N.2 1 noname -0.2830 35 N8 -2.0261 1.1567 4.7515 N.2 1 noname -0.1855 36 N9 -0.9979 0.8206 6.6322 N.3 1 noname -0.0100 37 C26 -1.8308 1.6455 5.9807 C.2 1 noname -0.0112 38 H1 6.2420 -7.2757 0.7240 H 1 noname 0.0674 39 H2 3.7813 -7.2290 0.9905 H 1 noname 0.0460 40 H3 4.2626 -9.0507 1.1092 H 1 noname 0.0460 41 H4 6.4871 -7.0569 3.5714 H 1 noname 0.0309 42 H5 5.9574 -5.6560 2.4220 H 1 noname 0.0309 43 H6 4.4402 -6.8102 4.4397 H 1 noname 0.0431 44 H7 3.7907 -5.9845 2.8711 H 1 noname 0.0431 45 H8 2.0431 -7.2835 2.5256 H 1 noname 0.0444 46 H9 2.2437 -9.1579 2.4224 H 1 noname 0.0444 47 H10 2.3141 -9.2704 4.7792 H 1 noname 0.0449 48 H11 2.0766 -7.3996 4.8680 H 1 noname 0.0449 49 H12 0.3671 -10.4730 3.6732 H 1 noname 0.0452 50 H13 -0.2076 -10.2238 5.4542 H 1 noname 0.0452 51 H14 -2.3976 -9.4386 4.6061 H 1 noname 0.0493 52 H15 -2.9371 -10.5364 2.5846 H 1 noname 0.0314 53 H16 -2.4426 -9.2880 1.1128 H 1 noname 0.0670 54 H17 -1.9245 -11.7953 4.8446 H 1 noname 0.0234 55 H18 -2.8044 -12.5996 3.5228 H 1 noname 0.0234 56 H19 -1.0245 -12.5770 3.5228 H 1 noname 0.0234 57 H20 -0.7326 -11.8299 1.6067 H 1 noname 0.0234 58 H21 -1.3481 -10.2907 0.9585 H 1 noname 0.0234 59 H22 -0.0067 -10.2907 2.1284 H 1 noname 0.0234 60 H23 -3.3081 -7.9181 -0.8337 H 1 noname 0.0815 61 H24 -3.4151 -3.0982 -0.7862 H 1 noname 0.0864 62 H25 -2.8171 -1.3856 0.5636 H 1 noname 0.0629 63 H26 -1.4733 -4.3748 3.5062 H 1 noname 0.0629 64 H27 -2.1560 0.4482 2.1283 H 1 noname 0.0630 65 H28 -0.7987 -2.5530 5.0567 H 1 noname 0.0630 66 H29 -0.6601 0.9185 7.5791 H 1 noname 0.1766 67 H30 -2.2733 2.5573 6.3818 H 1 noname 0.1028 @BOND 1 2 1 1 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 5 7 1 7 5 6 1 8 7 8 1 9 8 9 1 10 9 10 1 11 9 11 1 12 10 12 2 13 10 13 1 14 14 11 1 15 13 15 1 16 13 14 1 17 14 16 1 18 15 17 2 19 15 18 1 20 16 19 1 21 16 20 1 22 17 21 1 23 18 22 2 24 21 23 1 25 21 24 2 26 22 23 1 27 23 25 1 28 24 26 1 29 24 27 1 30 25 27 2 31 26 28 2 32 26 29 1 33 28 30 1 34 29 31 2 35 30 32 2 36 31 32 1 37 32 33 1 38 33 34 2 39 33 35 1 40 34 36 1 41 35 37 2 42 36 37 1 43 2 38 1 44 3 39 1 45 3 40 1 46 4 41 1 47 4 42 1 48 6 43 1 49 6 44 1 50 7 45 1 51 7 46 1 52 8 47 1 53 8 48 1 54 11 49 1 55 11 50 1 56 14 51 1 57 16 52 1 58 18 53 1 59 19 54 1 60 19 55 1 61 19 56 1 62 20 57 1 63 20 58 1 64 20 59 1 65 22 60 1 66 27 61 1 67 28 62 1 68 29 63 1 69 30 64 1 70 31 65 1 71 36 66 1 72 37 67 1 @SUBSTRUCTURE 1 noname 1