@MOLECULE 136400 67 72 1 SMALL USER_CHARGES @ATOM 1 F1 6.5049 -8.3501 1.8204 F 1 noname -0.2458 2 C1 5.3578 -7.8131 2.3452 C.3 1 noname 0.1140 3 C2 4.2679 -7.8212 1.2915 C.3 1 noname 0.0297 4 C3 5.5882 -6.3381 2.6699 C.3 1 noname -0.0076 5 N1 3.4433 -6.7117 1.7240 N.3 1 noname -0.2990 6 C4 4.4565 -5.6620 1.9132 C.3 1 noname 0.0012 7 C5 2.4428 -6.4244 0.7039 C.3 1 noname 0.0117 8 C6 1.4480 -5.3178 1.1188 C.3 1 noname 0.0199 9 N2 0.4192 -5.0452 0.1021 N.3 1 noname -0.0440 10 C7 0.6274 -4.2260 -1.0850 C.2 1 noname 0.0536 11 C8 -0.8592 -5.7481 0.1179 C.3 1 noname 0.0240 12 O1 1.2194 -3.1372 -1.2483 O.2 1 noname -0.2701 13 N3 -0.0678 -5.0761 -2.0025 N.3 1 noname -0.0943 14 C9 -1.2681 -5.5682 -1.3430 C.3 1 noname 0.0405 15 C10 0.5095 -5.3624 -3.2299 C.2 1 noname 0.0793 16 C11 -1.9358 -6.8993 -1.7390 C.3 1 noname -0.0292 17 N4 1.4385 -4.4887 -3.7469 N.2 1 noname -0.1934 18 C12 0.2149 -6.5437 -3.9908 C.2 1 noname 0.0195 19 C13 -3.1489 -7.1484 -0.8406 C.3 1 noname -0.0612 20 C14 -0.9332 -8.0427 -1.5708 C.3 1 noname -0.0612 21 C15 2.0695 -4.7157 -4.9231 C.2 1 noname 0.0193 22 C16 0.8768 -6.7641 -5.2160 C.2 1 noname -0.0355 23 N5 1.7822 -5.8296 -5.6264 N.3 1 noname -0.0601 24 C17 3.0366 -3.9784 -5.6052 C.2 1 noname 0.0611 25 N6 2.4847 -5.8521 -6.7065 N.2 1 noname -0.2973 26 C18 3.6485 -2.7566 -5.2042 C.2 1 noname -0.0157 27 C19 3.2644 -4.7584 -6.7531 C.2 1 noname 0.0443 28 C20 4.6543 -2.1486 -6.0386 C.2 1 noname -0.0226 29 C21 3.2691 -2.1682 -3.9495 C.2 1 noname -0.0226 30 C22 5.2511 -0.9310 -5.6377 C.2 1 noname -0.0105 31 C23 3.8596 -0.9589 -3.5362 C.2 1 noname -0.0105 32 C24 4.8233 -0.3500 -4.4020 C.2 1 noname -0.0068 33 C25 5.1933 0.9638 -4.0789 C.2 1 noname 0.0894 34 N7 5.0049 1.5612 -2.8901 N.2 1 noname -0.2830 35 N8 5.5399 1.8949 -4.9773 N.2 1 noname -0.1855 36 N9 5.1768 2.8261 -3.0515 N.3 1 noname -0.0100 37 C26 5.5079 3.0641 -4.3291 C.2 1 noname -0.0112 38 H1 5.1604 -8.4516 3.2063 H 1 noname 0.0674 39 H2 4.7020 -7.5578 0.3270 H 1 noname 0.0460 40 H3 3.6797 -8.7332 1.3935 H 1 noname 0.0460 41 H4 5.4207 -6.1909 3.7368 H 1 noname 0.0309 42 H5 6.5315 -6.0303 2.2188 H 1 noname 0.0309 43 H6 4.0178 -4.9039 2.5620 H 1 noname 0.0431 44 H7 4.8241 -5.3868 0.9246 H 1 noname 0.0431 45 H8 3.0106 -6.0420 -0.1443 H 1 noname 0.0444 46 H9 1.8713 -7.3474 0.6056 H 1 noname 0.0444 47 H10 0.8990 -5.6942 1.9819 H 1 noname 0.0449 48 H11 2.0194 -4.3929 1.1972 H 1 noname 0.0449 49 H12 -0.6652 -6.8028 0.3131 H 1 noname 0.0452 50 H13 -1.5450 -5.1926 0.7576 H 1 noname 0.0452 51 H14 -1.9781 -4.7998 -1.6486 H 1 noname 0.0493 52 H15 -2.2607 -6.8555 -2.7785 H 1 noname 0.0314 53 H16 -0.5126 -7.2745 -3.6377 H 1 noname 0.0670 54 H17 -2.8459 -7.0862 0.2046 H 1 noname 0.0234 55 H18 -3.9116 -6.3965 -1.0432 H 1 noname 0.0234 56 H19 -3.5535 -8.1401 -1.0432 H 1 noname 0.0234 57 H20 -0.7696 -8.2293 -0.5094 H 1 noname 0.0234 58 H21 -1.3270 -8.9434 -2.0416 H 1 noname 0.0234 59 H22 0.0113 -7.7699 -2.0416 H 1 noname 0.0234 60 H23 0.6917 -7.6419 -5.8351 H 1 noname 0.0815 61 H24 3.9534 -4.5440 -7.5701 H 1 noname 0.0864 62 H25 4.9646 -2.6111 -6.9756 H 1 noname 0.0629 63 H26 2.5279 -2.6428 -3.3065 H 1 noname 0.0629 64 H27 6.0124 -0.4581 -6.2580 H 1 noname 0.0630 65 H28 3.5812 -0.5111 -2.5822 H 1 noname 0.0630 66 H29 5.0713 3.5063 -2.3124 H 1 noname 0.1766 67 H30 5.7156 4.0409 -4.7660 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