@MOLECULE 35590 69 73 1 SMALL USER_CHARGES @ATOM 1 F1 15.2048 -5.6710 2.5920 F 1 noname -0.2495 2 C1 14.4142 -6.4757 1.8130 C.3 1 noname 0.1024 3 C2 12.9973 -5.9009 1.7597 C.3 1 noname 0.0325 4 N1 12.1841 -6.7285 0.9585 N.3 1 noname -0.0567 5 C3 10.8945 -6.4185 0.7681 C.2 1 noname 0.0389 6 O1 10.1736 -7.1523 0.0578 O.2 1 noname -0.2745 7 N2 10.3776 -5.3220 1.3390 N.3 1 noname -0.1342 8 C4 9.0879 -5.0120 1.1486 C.2 1 noname -0.0033 9 C5 8.1571 -6.0774 0.9336 C.2 1 noname -0.0222 10 C6 8.7105 -3.6338 1.1703 C.2 1 noname -0.0222 11 C7 6.7845 -5.7439 0.7270 C.2 1 noname -0.0118 12 C8 7.3342 -3.3179 0.9618 C.2 1 noname -0.0118 13 C9 6.3707 -4.3644 0.7353 C.2 1 noname -0.0184 14 C10 4.9962 -4.0389 0.5229 C.2 1 noname 0.0746 15 N3 4.6386 -2.7316 0.4922 N.2 1 noname -0.2583 16 N4 4.0065 -4.9656 0.3746 N.2 1 noname -0.2427 17 C11 3.3652 -2.2721 0.3644 C.2 1 noname 0.0576 18 C12 2.7127 -4.5635 0.2254 C.2 1 noname 0.1132 19 N5 3.1915 -0.9569 0.4781 N.3 1 noname -0.0868 20 C13 2.3530 -3.2304 0.2277 C.2 1 noname -0.0167 21 N6 1.5748 -5.2419 0.0856 N.3 1 noname 0.0477 22 C14 3.1756 -0.1451 -0.7211 C.3 1 noname 0.0281 23 C15 3.2777 -0.4418 1.8247 C.3 1 noname 0.0281 24 C16 0.9687 -3.1303 0.1232 C.2 1 noname 0.0335 25 N7 0.5784 -4.4068 0.0574 N.2 1 noname -0.2883 26 C17 1.5281 -6.6498 -0.0757 C.3 1 noname 0.0498 27 C18 3.9094 1.2083 -0.4823 C.3 1 noname 0.0599 28 C19 4.5835 0.4002 1.8539 C.3 1 noname 0.0599 29 C20 1.6596 -7.3829 1.2941 C.3 1 noname -0.0190 30 C21 0.3634 -7.0069 -1.0352 C.3 1 noname -0.0190 31 O2 4.8344 1.2072 0.6545 O.3 1 noname -0.3786 32 C22 0.7090 -8.6126 1.4059 C.3 1 noname 0.0099 33 C23 -0.8846 -7.3967 -0.2094 C.3 1 noname 0.0099 34 N8 -0.6571 -8.4371 0.8316 N.3 1 noname -0.0285 35 C24 -1.6700 -9.2089 1.2487 C.2 1 noname 0.0503 36 O3 -2.8121 -9.0571 0.7638 O.2 1 noname -0.2522 37 O4 -1.4570 -10.1502 2.1926 O.3 1 noname -0.2025 38 C25 -2.5304 -10.9680 2.6347 C.3 1 noname 0.0467 39 H1 14.8516 -6.4165 0.8164 H 1 noname 0.0637 40 H2 14.3831 -7.4301 2.3387 H 1 noname 0.0637 41 H3 12.5695 -5.9581 2.7606 H 1 noname 0.0460 42 H4 13.0379 -4.9446 1.2383 H 1 noname 0.0460 43 H5 12.5338 -7.5634 0.5103 H 1 noname 0.1324 44 H6 10.9600 -4.7292 1.9130 H 1 noname 0.1384 45 H7 8.4853 -7.1168 0.9275 H 1 noname 0.0639 46 H8 9.4480 -2.8494 1.3402 H 1 noname 0.0639 47 H9 6.0562 -6.5383 0.5636 H 1 noname 0.0630 48 H10 7.0181 -2.2748 0.9756 H 1 noname 0.0630 49 H11 3.7496 -0.7098 -1.4557 H 1 noname 0.0459 50 H12 2.1235 0.0744 -0.9033 H 1 noname 0.0459 51 H13 2.4261 0.2256 1.9568 H 1 noname 0.0459 52 H14 3.4009 -1.3043 2.4796 H 1 noname 0.0459 53 H15 0.3307 -2.2469 0.0984 H 1 noname 0.0865 54 H16 2.4365 -6.9424 -0.6022 H 1 noname 0.0528 55 H17 4.5451 1.3807 -1.3507 H 1 noname 0.0580 56 H18 3.1463 1.9382 -0.2120 H 1 noname 0.0580 57 H19 4.4655 1.1322 2.6529 H 1 noname 0.0580 58 H20 5.4114 -0.3082 1.8816 H 1 noname 0.0580 59 H21 2.6739 -7.7804 1.3288 H 1 noname 0.0299 60 H22 1.3262 -6.6729 2.0510 H 1 noname 0.0299 61 H23 0.1094 -6.0952 -1.5760 H 1 noname 0.0299 62 H24 0.6681 -7.8986 -1.5831 H 1 noname 0.0299 63 H25 1.1590 -9.4014 0.8032 H 1 noname 0.0437 64 H26 0.5389 -8.7704 2.4709 H 1 noname 0.0437 65 H27 -1.1735 -6.5051 0.3471 H 1 noname 0.0437 66 H28 -1.5843 -7.8525 -0.9099 H 1 noname 0.0437 67 H29 -2.5506 -10.9834 3.7244 H 1 noname 0.0536 68 H30 -3.4717 -10.5662 2.2595 H 1 noname 0.0536 69 H31 -2.3930 -11.9821 2.2595 H 1 noname 0.0536 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 2 9 8 10 1 10 9 11 1 11 10 12 2 12 11 13 2 13 12 13 1 14 13 14 1 15 14 15 2 16 14 16 1 17 15 17 1 18 16 18 2 19 17 19 1 20 17 20 2 21 18 21 1 22 18 20 1 23 19 22 1 24 19 23 1 25 20 24 1 26 21 25 1 27 21 26 1 28 22 27 1 29 23 28 1 30 24 25 2 31 26 29 1 32 26 30 1 33 27 31 1 34 28 31 1 35 29 32 1 36 30 33 1 37 32 34 1 38 33 34 1 39 34 35 1 40 35 36 2 41 35 37 1 42 37 38 1 43 2 39 1 44 2 40 1 45 3 41 1 46 3 42 1 47 4 43 1 48 7 44 1 49 9 45 1 50 10 46 1 51 11 47 1 52 12 48 1 53 22 49 1 54 22 50 1 55 23 51 1 56 23 52 1 57 24 53 1 58 26 54 1 59 27 55 1 60 27 56 1 61 28 57 1 62 28 58 1 63 29 59 1 64 29 60 1 65 30 61 1 66 30 62 1 67 32 63 1 68 32 64 1 69 33 65 1 70 33 66 1 71 38 67 1 72 38 68 1 73 38 69 1 @SUBSTRUCTURE 1 noname 1