@MOLECULE 116111 62 66 1 SMALL USER_CHARGES @ATOM 1 F1 -0.3466 -5.5713 -3.9311 F 1 noname -0.1567 2 C1 -0.0769 -4.3251 -4.1897 C.2 1 noname 0.0677 3 C2 0.9360 -3.6027 -3.4833 C.2 1 noname 0.0466 4 C3 -0.7690 -3.5939 -5.1918 C.2 1 noname 0.0321 5 C4 1.7187 -4.4280 -2.5429 C.2 1 noname 0.0338 6 C5 1.2169 -2.2151 -3.7100 C.2 1 noname 0.0038 7 C6 -0.4835 -2.1995 -5.4931 C.2 1 noname 0.0000 8 O1 1.4712 -5.6492 -2.4433 O.2 1 noname -0.2909 9 N1 2.7928 -3.8321 -1.7150 N.3 1 noname -0.0588 10 C7 0.5122 -1.5299 -4.7189 C.2 1 noname -0.0216 11 C8 -1.1655 -1.4363 -6.5257 C.2 1 noname 0.0476 12 C9 3.8341 -2.8871 -2.2336 C.3 1 noname 0.0645 13 C10 2.8819 -4.2558 -0.2880 C.3 1 noname 0.0228 14 N2 -0.7712 -0.1205 -6.7501 N.2 1 noname -0.2222 15 C11 -2.2425 -1.9330 -7.3400 C.2 1 noname 0.0406 16 C12 3.6561 -1.6987 -1.3616 C.2 1 noname 0.0145 17 C13 2.9235 -3.0063 0.6475 C.3 1 noname 0.0321 18 C14 -1.3458 0.7019 -7.6727 C.2 1 noname 0.0454 19 C15 -2.7335 -3.1296 -7.2703 C.1 1 noname -0.0101 20 C16 -2.8278 -1.0728 -8.2874 C.2 1 noname 0.0370 21 N3 3.7419 -0.4002 -1.6811 N.2 1 noname -0.1578 22 N4 3.2898 -1.8033 -0.0643 N.3 1 noname 0.0028 23 N5 -2.3662 0.2015 -8.4199 N.2 1 noname -0.2309 24 C17 -3.0864 -4.2563 -7.0959 C.1 1 noname -0.0267 25 C18 -3.9262 -1.5449 -9.1255 C.3 1 noname 0.0467 26 N6 3.5039 0.2714 -0.5967 N.2 1 noname -0.1645 27 C19 3.2344 -0.5589 0.4285 C.2 1 noname 0.0025 28 C20 -3.4618 -5.4905 -6.8843 C.2 1 noname -0.0248 29 C21 -3.5209 -1.4516 -10.5978 C.3 1 noname -0.0597 30 C22 -4.3119 -5.7887 -5.7812 C.2 1 noname 0.0133 31 C23 -3.0664 -6.5073 -7.8042 C.2 1 noname -0.0238 32 N7 -4.7204 -7.0972 -5.6753 N.2 1 noname -0.2615 33 C24 -3.5074 -7.8467 -7.6633 C.2 1 noname -0.0298 34 C25 -4.3614 -8.1073 -6.5507 C.2 1 noname 0.0187 35 N8 -4.8230 -9.3492 -6.3501 N.3 1 noname -0.1109 36 C26 -6.2324 -9.3390 -6.3910 C.3 1 noname -0.0014 37 C27 -6.7595 -10.7569 -6.1619 C.3 1 noname -0.0522 38 H1 -1.5449 -4.1203 -5.7478 H 1 noname 0.0660 39 H2 1.9624 -1.6839 -3.1183 H 1 noname 0.0631 40 H3 0.7378 -0.4792 -4.9009 H 1 noname 0.0629 41 H4 4.8164 -3.3128 -2.0289 H 1 noname 0.0517 42 H5 3.5642 -2.6037 -3.2509 H 1 noname 0.0517 43 H6 1.9545 -4.7888 -0.0787 H 1 noname 0.0452 44 H7 3.8390 -4.7681 -0.1901 H 1 noname 0.0452 45 H8 1.9077 -2.8230 0.9978 H 1 noname 0.0487 46 H9 3.7286 -3.1594 1.3662 H 1 noname 0.0487 47 H10 -1.0004 1.7268 -7.8086 H 1 noname 0.1061 48 H11 -4.0541 -2.6005 -8.8855 H 1 noname 0.0329 49 H12 -4.7473 -0.8462 -8.9651 H 1 noname 0.0329 50 H13 3.0141 -0.2781 1.4584 H 1 noname 0.1036 51 H14 -3.4079 -2.4551 -11.0079 H 1 noname 0.0234 52 H15 -4.2910 -0.9165 -11.1535 H 1 noname 0.0234 53 H16 -2.5749 -0.9165 -10.6810 H 1 noname 0.0234 54 H17 -4.6357 -5.0480 -5.0501 H 1 noname 0.0853 55 H18 -2.4100 -6.2540 -8.6368 H 1 noname 0.0637 56 H19 -3.2092 -8.6257 -8.3649 H 1 noname 0.0656 57 H20 -4.2205 -10.1451 -6.1966 H 1 noname 0.1296 58 H21 -6.5410 -8.7214 -5.5475 H 1 noname 0.0429 59 H22 -6.4894 -9.0410 -7.4075 H 1 noname 0.0429 60 H23 -6.8311 -10.9495 -5.0914 H 1 noname 0.0243 61 H24 -7.7457 -10.8557 -6.6155 H 1 noname 0.0243 62 H25 -6.0773 -11.4759 -6.6155 H 1 noname 0.0243 @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 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 9 12 1 13 9 13 1 14 11 14 2 15 11 15 1 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 15 20 2 21 16 21 2 22 16 22 1 23 17 22 1 24 18 23 2 25 19 24 3 26 20 25 1 27 20 23 1 28 21 26 1 29 22 27 1 30 24 28 1 31 25 29 1 32 26 27 2 33 28 30 2 34 28 31 1 35 30 32 1 36 31 33 2 37 32 34 2 38 33 34 1 39 34 35 1 40 35 36 1 41 36 37 1 42 4 38 1 43 6 39 1 44 10 40 1 45 12 41 1 46 12 42 1 47 13 43 1 48 13 44 1 49 17 45 1 50 17 46 1 51 18 47 1 52 25 48 1 53 25 49 1 54 27 50 1 55 29 51 1 56 29 52 1 57 29 53 1 58 30 54 1 59 31 55 1 60 33 56 1 61 35 57 1 62 36 58 1 63 36 59 1 64 37 60 1 65 37 61 1 66 37 62 1 @SUBSTRUCTURE 1 noname 1