@MOLECULE DB07054 56 58 1 SMALL USER_CHARGES @ATOM 1 F1 0.9984 -2.0064 -2.7611 F 1 noname -0.1623 2 C1 0.4687 -0.9325 -2.2526 C.2 1 noname 0.0213 3 C2 0.7337 -0.5706 -0.8898 C.2 1 noname 0.0284 4 C3 -0.3819 -0.1035 -3.0464 C.2 1 noname -0.0013 5 N1 1.8585 -1.0564 -0.2962 N.3 1 noname 0.0183 6 C4 0.0441 0.5188 -0.2602 C.2 1 noname -0.0092 7 C5 -0.9773 1.0450 -2.4312 C.2 1 noname -0.0338 8 C6 3.1053 -0.4791 -0.4510 C.2 1 noname 0.0429 9 C7 -0.8088 1.3558 -1.0430 C.2 1 noname -0.0145 10 N2 4.1715 -1.0584 0.1982 N.2 1 noname -0.2537 11 C8 3.2911 0.6858 -1.2599 C.2 1 noname 0.0048 12 C9 -1.4913 2.4987 -0.4435 C.3 1 noname 0.4161 13 C10 5.4520 -0.5831 0.1248 C.2 1 noname 0.0516 14 C11 4.6161 1.1750 -1.3338 C.2 1 noname 0.0429 15 F2 -0.5629 3.3713 0.0629 F 1 noname -0.1661 16 F3 -2.3090 2.0639 0.5675 F 1 noname -0.1661 17 F4 -2.2429 3.1343 -1.3978 F 1 noname -0.1661 18 N3 5.6150 0.5354 -0.6551 N.2 1 noname -0.2537 19 N4 4.8912 2.2623 -2.0672 N.3 1 noname 0.0016 20 C12 5.7774 1.9453 -3.0209 C.2 1 noname -0.0411 21 C13 6.2177 2.9175 -3.9114 C.2 1 noname -0.0464 22 C14 6.2565 0.6442 -3.1198 C.2 1 noname -0.0464 23 C15 7.1370 2.5887 -4.9008 C.2 1 noname -0.0306 24 C16 7.1759 0.3154 -4.1091 C.2 1 noname -0.0306 25 C17 7.6161 1.2877 -4.9996 C.2 1 noname -0.0228 26 O1 8.5090 0.9683 -5.9605 O.3 1 noname -0.2770 27 C18 7.8182 0.5498 -7.1284 C.3 1 noname 0.0806 28 C19 8.8301 0.1879 -8.2174 C.3 1 noname 0.0906 29 O2 8.1393 -0.2306 -9.3853 O.3 1 noname -0.3892 30 C20 9.6881 1.4120 -8.5434 C.3 1 noname 0.0260 31 N5 10.6551 1.0661 -9.5840 N.3 1 noname -0.3066 32 C21 11.4750 2.2358 -9.8956 C.3 1 noname -0.0135 33 C22 11.5135 -0.0185 -9.1106 C.3 1 noname -0.0135 34 H1 -0.5714 -0.3408 -4.0932 H 1 noname 0.0654 35 H2 1.7642 -1.8787 0.2827 H 1 noname 0.1358 36 H3 0.1673 0.7092 0.8059 H 1 noname 0.0646 37 H4 -1.5841 1.7105 -3.0452 H 1 noname 0.0629 38 H5 2.4714 1.1721 -1.7888 H 1 noname 0.0690 39 H6 6.2804 -1.0599 0.6487 H 1 noname 0.1062 40 H7 4.4922 3.1789 -1.9233 H 1 noname 0.1357 41 H8 5.8420 3.9378 -3.8339 H 1 noname 0.0640 42 H9 5.9113 -0.1182 -2.4215 H 1 noname 0.0640 43 H10 7.4823 3.3512 -5.5991 H 1 noname 0.0650 44 H11 7.5516 -0.7049 -4.1866 H 1 noname 0.0650 45 H12 7.2893 -0.3596 -6.8432 H 1 noname 0.0599 46 H13 7.2588 1.4231 -7.4640 H 1 noname 0.0599 47 H14 9.4453 -0.6623 -7.9224 H 1 noname 0.0638 48 H15 8.1194 -1.1898 -9.4189 H 1 noname 0.2106 49 H16 9.0331 2.1655 -8.9808 H 1 noname 0.0458 50 H17 10.2744 1.6485 -7.6555 H 1 noname 0.0458 51 H18 11.8044 2.7058 -8.9690 H 1 noname 0.0394 52 H19 12.3446 1.9260 -10.4751 H 1 noname 0.0394 53 H20 10.8871 2.9476 -10.4751 H 1 noname 0.0394 54 H21 11.5203 -0.0271 -8.0206 H 1 noname 0.0394 55 H22 11.1322 -0.9709 -9.4790 H 1 noname 0.0394 56 H23 12.5279 0.1337 -9.4790 H 1 noname 0.0394 @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 9 1 10 8 10 2 11 8 11 1 12 9 12 1 13 10 13 1 14 11 14 2 15 12 15 1 16 12 16 1 17 12 17 1 18 13 18 2 19 14 19 1 20 14 18 1 21 19 20 1 22 20 21 2 23 20 22 1 24 21 23 1 25 22 24 2 26 23 25 2 27 24 25 1 28 25 26 1 29 26 27 1 30 27 28 1 31 28 29 1 32 28 30 1 33 30 31 1 34 31 32 1 35 31 33 1 36 4 34 1 37 5 35 1 38 6 36 1 39 7 37 1 40 11 38 1 41 13 39 1 42 19 40 1 43 21 41 1 44 22 42 1 45 23 43 1 46 24 44 1 47 27 45 1 48 27 46 1 49 28 47 1 50 29 48 1 51 30 49 1 52 30 50 1 53 32 51 1 54 32 52 1 55 32 53 1 56 33 54 1 57 33 55 1 58 33 56 1 @SUBSTRUCTURE 1 noname 1