@MOLECULE 116001 56 60 1 SMALL USER_CHARGES @ATOM 1 F1 -0.4763 -5.5317 -3.8578 F 1 noname -0.1548 2 C1 -0.1584 -4.3038 -4.1476 C.2 1 noname 0.0797 3 C2 0.8860 -3.6057 -3.4630 C.2 1 noname 0.0913 4 C3 -0.8259 -3.5698 -5.1643 C.2 1 noname 0.0265 5 C4 1.2208 -2.2363 -3.7244 C.2 1 noname 0.0797 6 C5 1.6398 -4.4388 -2.5061 C.2 1 noname 0.0495 7 C6 -0.4866 -2.1956 -5.5004 C.2 1 noname 0.0123 8 F2 2.1417 -1.6378 -3.0269 F 1 noname -0.1548 9 C7 0.5389 -1.5479 -4.7467 C.2 1 noname 0.0265 10 O1 1.3444 -5.6464 -2.3760 O.2 1 noname -0.2873 11 N1 2.7411 -3.8665 -1.6973 N.3 1 noname -0.0559 12 C8 -1.1428 -1.4308 -6.5485 C.2 1 noname 0.0478 13 C9 3.8165 -2.9767 -2.2428 C.3 1 noname 0.0645 14 C10 2.8204 -4.2590 -0.2608 C.3 1 noname 0.0228 15 N2 -0.6975 -0.1375 -6.8062 N.2 1 noname -0.2213 16 C11 -2.2428 -1.9034 -7.3461 C.2 1 noname 0.0415 17 C12 3.6904 -1.7615 -1.3992 C.2 1 noname 0.0145 18 C13 2.9164 -2.9901 0.6440 C.3 1 noname 0.0321 19 C14 -1.2435 0.6847 -7.7461 C.2 1 noname 0.0456 20 C15 -2.7808 -3.0774 -7.2455 C.1 1 noname -0.0100 21 C16 -2.7982 -1.0436 -8.3117 C.2 1 noname 0.0371 22 N3 3.8264 -0.4755 -1.7503 N.2 1 noname -0.1578 23 N4 3.3268 -1.8201 -0.0982 N.3 1 noname 0.0028 24 N5 -2.2867 0.2077 -8.4768 N.2 1 noname -0.2300 25 C17 -3.1774 -4.1846 -7.0424 C.1 1 noname -0.0269 26 C18 -3.9187 -1.4914 -9.1336 C.3 1 noname 0.0467 27 N6 3.6208 0.2310 -0.6816 N.2 1 noname -0.1645 28 C19 3.3236 -0.5631 0.3646 C.2 1 noname 0.0025 29 C20 -3.6006 -5.3974 -6.7994 C.2 1 noname -0.0258 30 C21 -3.5173 -1.4498 -10.6094 C.3 1 noname -0.0597 31 C22 -4.4564 -5.6348 -5.6860 C.2 1 noname 0.0129 32 C23 -3.2507 -6.4510 -7.6960 C.2 1 noname -0.0243 33 N7 -4.9161 -6.9230 -5.5467 N.2 1 noname -0.2633 34 C24 -3.7440 -7.7679 -7.5209 C.2 1 noname -0.0315 35 C25 -4.6021 -7.9674 -6.3989 C.2 1 noname 0.0173 36 N8 -5.1118 -9.1846 -6.1664 N.3 1 noname -0.1209 37 H1 -1.6249 -4.0779 -5.7042 H 1 noname 0.0660 38 H2 0.8053 -0.5117 -4.9550 H 1 noname 0.0660 39 H3 4.7821 -3.4362 -2.0318 H 1 noname 0.0517 40 H4 3.5530 -2.7072 -3.2656 H 1 noname 0.0517 41 H5 1.8735 -4.7494 -0.0348 H 1 noname 0.0452 42 H6 3.7568 -4.8067 -0.1544 H 1 noname 0.0452 43 H7 1.9106 -2.7580 0.9939 H 1 noname 0.0487 44 H8 3.7184 -3.1579 1.3629 H 1 noname 0.0487 45 H9 -0.8582 1.6914 -7.9082 H 1 noname 0.1061 46 H10 -4.0873 -2.5349 -8.8676 H 1 noname 0.0329 47 H11 -4.7105 -0.7568 -8.9868 H 1 noname 0.0329 48 H12 3.1198 -0.2490 1.3882 H 1 noname 0.1036 49 H13 -3.4147 -2.4671 -10.9869 H 1 noname 0.0234 50 H14 -4.2845 -0.9262 -11.1799 H 1 noname 0.0234 51 H15 -2.5669 -0.9262 -10.7128 H 1 noname 0.0234 52 H16 -4.7468 -4.8644 -4.9717 H 1 noname 0.0853 53 H17 -2.5889 -6.2443 -8.5371 H 1 noname 0.0637 54 H18 -3.4806 -8.5749 -8.2047 H 1 noname 0.0656 55 H19 -6.1108 -9.3055 -6.0788 H 1 noname 0.1257 56 H20 -4.4972 -9.9813 -6.0788 H 1 noname 0.1257 @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 5 9 2 9 6 10 2 10 6 11 1 11 7 12 1 12 7 9 1 13 11 13 1 14 11 14 1 15 12 15 2 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 16 20 1 21 16 21 2 22 17 22 2 23 17 23 1 24 18 23 1 25 19 24 2 26 20 25 3 27 21 26 1 28 21 24 1 29 22 27 1 30 23 28 1 31 25 29 1 32 26 30 1 33 27 28 2 34 29 31 2 35 29 32 1 36 31 33 1 37 32 34 2 38 33 35 2 39 34 35 1 40 35 36 1 41 4 37 1 42 9 38 1 43 13 39 1 44 13 40 1 45 14 41 1 46 14 42 1 47 18 43 1 48 18 44 1 49 19 45 1 50 26 46 1 51 26 47 1 52 28 48 1 53 30 49 1 54 30 50 1 55 30 51 1 56 31 52 1 57 32 53 1 58 34 54 1 59 36 55 1 60 36 56 1 @SUBSTRUCTURE 1 noname 1