@MOLECULE ly-2456302 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 F -4.0020 3.0659 -0.0013 F 1 UNL1111111111 -0.1348 2 O -1.5654 2.3338 -0.5747 O.3 1 UNL1111111111 -0.2787 3 O -6.2495 -1.3995 1.5345 O.2 1 UNL1111111111 -0.5078 4 N 4.2631 0.4417 0.8086 N.3 1 UNL1111111111 -0.4363 5 N -5.7401 -2.4864 -0.3660 N.am 1 UNL1111111111 -0.6945 6 C 4.1249 -0.3232 -0.4649 C.3 1 UNL1111111111 0.0346 7 C 5.2888 -1.3485 -0.5079 C.3 1 UNL1111111111 -0.2879 8 C 6.1000 -1.1239 0.7774 C.3 1 UNL1111111111 -0.2744 9 C 5.6480 0.2483 1.3104 C.3 1 UNL1111111111 -0.1068 10 C 2.7937 -1.0377 -0.4786 C.ar 1 UNL1111111111 0.0282 11 C 3.9159 1.8741 0.6577 C.3 1 UNL1111111111 -0.1202 12 C 2.0797 -1.1113 -1.6743 C.ar 1 UNL1111111111 -0.2467 13 C 2.2840 -1.6230 0.6797 C.ar 1 UNL1111111111 -0.2022 14 C 2.4481 1.9893 0.3393 C.ar 1 UNL1111111111 -0.0405 15 C 0.8514 -1.7740 -1.7110 C.ar 1 UNL1111111111 0.0702 16 C 1.0556 -2.2817 0.6446 C.ar 1 UNL1111111111 0.0649 17 C 0.3436 -2.3653 -0.5542 C.ar 1 UNL1111111111 -0.2519 18 C 2.0302 2.5221 -0.8808 C.ar 1 UNL1111111111 -0.1280 19 C 1.5106 1.5347 1.2723 C.ar 1 UNL1111111111 -0.0813 20 C 0.0818 -1.8224 -2.9885 C.3 1 UNL1111111111 -0.4550 21 C 0.4894 -2.8728 1.8916 C.3 1 UNL1111111111 -0.4514 22 C 0.6733 2.5938 -1.1863 C.ar 1 UNL1111111111 -0.2043 23 C 0.1507 1.6031 0.9902 C.ar 1 UNL1111111111 -0.2358 24 C -0.2380 2.1276 -0.2407 C.ar 1 UNL1111111111 0.1962 25 C -2.4406 1.3374 -0.2580 C.ar 1 UNL1111111111 0.1842 26 C -3.7537 1.7689 0.0016 C.ar 1 UNL1111111111 0.0986 27 C -2.1412 -0.0221 -0.2595 C.ar 1 UNL1111111111 -0.2398 28 C -4.7702 0.8599 0.2586 C.ar 1 UNL1111111111 -0.1261 29 C -3.1568 -0.9410 -0.0064 C.ar 1 UNL1111111111 -0.0941 30 C -4.4558 -0.5018 0.2436 C.ar 1 UNL1111111111 -0.1444 31 C -5.5438 -1.4675 0.5503 C.2 1 UNL1111111111 0.5921 32 H 4.1950 0.3565 -1.3526 H 1 UNL1111111111 0.1271 33 H 5.9064 -1.1968 -1.4065 H 1 UNL1111111111 0.1384 34 H 4.9088 -2.3825 -0.5650 H 1 UNL1111111111 0.1532 35 H 5.8849 -1.9165 1.5155 H 1 UNL1111111111 0.1460 36 H 7.1834 -1.1528 0.5916 H 1 UNL1111111111 0.1354 37 H 5.6055 0.2675 2.4188 H 1 UNL1111111111 0.1416 38 H 6.3467 1.0448 0.9881 H 1 UNL1111111111 0.1138 39 H 4.5371 2.3936 -0.1052 H 1 UNL1111111111 0.1210 40 H 4.1266 2.3790 1.6310 H 1 UNL1111111111 0.1516 41 H 2.4699 -0.6477 -2.5756 H 1 UNL1111111111 0.1544 42 H 2.8468 -1.5406 1.6096 H 1 UNL1111111111 0.1745 43 H -0.6037 -2.8948 -0.5844 H 1 UNL1111111111 0.1513 44 H 2.7623 2.8761 -1.6045 H 1 UNL1111111111 0.1515 45 H 1.8566 1.1039 2.2133 H 1 UNL1111111111 0.1675 46 H 0.7277 -2.0743 -3.8417 H 1 UNL1111111111 0.1573 47 H -0.7267 -2.5637 -2.9689 H 1 UNL1111111111 0.1504 48 H -0.3756 -0.8443 -3.2053 H 1 UNL1111111111 0.1633 49 H -0.2110 -2.1702 2.3702 H 1 UNL1111111111 0.1645 50 H -0.0608 -3.8027 1.6976 H 1 UNL1111111111 0.1525 51 H 1.2663 -3.1059 2.6322 H 1 UNL1111111111 0.1549 52 H 0.3250 3.0002 -2.1323 H 1 UNL1111111111 0.1722 53 H -0.5874 1.2559 1.7087 H 1 UNL1111111111 0.1724 54 H -1.1203 -0.3613 -0.4584 H 1 UNL1111111111 0.1957 55 H -5.7870 1.1920 0.4836 H 1 UNL1111111111 0.1879 56 H -2.9249 -2.0068 0.0053 H 1 UNL1111111111 0.1607 57 H -5.2207 -2.5590 -1.2111 H 1 UNL1111111111 0.3046 58 H -6.4730 -3.1510 -0.2217 H 1 UNL1111111111 0.3101 @BOND 1 1 26 1 2 2 24 1 3 2 25 1 4 3 31 2 5 4 6 1 6 4 9 1 7 4 11 1 8 5 31 am 9 5 57 1 10 5 58 1 11 6 7 1 12 6 10 1 13 6 32 1 14 7 8 1 15 7 33 1 16 7 34 1 17 8 9 1 18 8 35 1 19 8 36 1 20 9 37 1 21 9 38 1 22 10 12 ar 23 10 13 ar 24 11 14 1 25 11 39 1 26 11 40 1 27 12 15 ar 28 12 41 1 29 13 16 ar 30 13 42 1 31 14 18 ar 32 14 19 ar 33 15 17 ar 34 15 20 1 35 16 17 ar 36 16 21 1 37 17 43 1 38 18 22 ar 39 18 44 1 40 19 23 ar 41 19 45 1 42 20 46 1 43 20 47 1 44 20 48 1 45 21 49 1 46 21 50 1 47 21 51 1 48 22 24 ar 49 22 52 1 50 23 24 ar 51 23 53 1 52 25 26 ar 53 25 27 ar 54 26 28 ar 55 27 29 ar 56 27 54 1 57 28 30 ar 58 28 55 1 59 29 30 ar 60 29 56 1 61 30 31 1