@MOLECULE 125423 58 61 1 SMALL USER_CHARGES @ATOM 1 F1 -7.8302 1.0356 -7.3109 F 1 noname -0.1465 2 C1 -7.2321 2.0544 -6.7659 C.2 1 noname 0.0783 3 C2 -7.3859 3.3826 -7.2627 C.2 1 noname 0.0786 4 C3 -6.3811 1.9188 -5.6349 C.2 1 noname 0.0227 5 O1 -8.1776 3.6011 -8.3342 O.3 1 noname -0.2346 6 N1 -6.7424 4.4464 -6.6705 N.2 1 noname -0.2146 7 C4 -5.7098 3.0282 -5.0156 C.2 1 noname 0.0043 8 C5 -9.5039 3.8600 -7.8978 C.3 1 noname 0.0441 9 C6 -5.9221 4.3143 -5.5812 C.2 1 noname 0.0024 10 N2 -4.9495 2.7234 -3.9396 N.3 1 noname 0.0132 11 C7 -4.0921 3.1240 -2.9440 C.2 1 noname 0.0506 12 N3 -3.9308 1.9002 -2.3432 N.2 1 noname -0.2489 13 C8 -3.4131 4.3067 -2.4277 C.2 1 noname 0.0033 14 C9 -3.1330 1.6795 -1.2803 C.2 1 noname 0.0095 15 C10 -3.4935 5.7227 -2.7882 C.2 1 noname 0.0271 16 C11 -2.5196 4.0228 -1.3597 C.2 1 noname -0.0103 17 C12 -2.3613 2.7464 -0.7681 C.2 1 noname -0.0325 18 N4 -2.8012 6.7078 -2.0818 N.2 1 noname -0.2618 19 C13 -4.2885 6.1658 -3.8856 C.2 1 noname -0.0088 20 C14 -1.4502 2.6211 0.4137 C.3 1 noname 0.0338 21 C15 -2.7945 8.0522 -2.3600 C.2 1 noname 0.0544 22 C16 -4.2990 7.5437 -4.1963 C.2 1 noname 0.0386 23 N5 -2.1360 2.8218 1.7820 N.3 1 noname -0.2919 24 C17 -0.4904 1.3747 0.2917 C.3 1 noname -0.0453 25 N6 -3.5615 8.4174 -3.4408 N.2 1 noname -0.2517 26 C18 -2.0337 9.0168 -1.5712 C.3 1 noname 0.0669 27 N7 -5.0276 7.9951 -5.2264 N.3 1 noname -0.1161 28 C19 -3.1949 3.9227 1.8853 C.3 1 noname 0.0225 29 C20 -1.1957 2.7261 2.9671 C.3 1 noname 0.0225 30 C21 -3.1880 4.8305 3.1671 C.3 1 noname 0.0595 31 C22 -0.7777 4.1137 3.5210 C.3 1 noname 0.0595 32 O2 -1.8975 4.9974 3.8297 O.3 1 noname -0.3786 33 H1 -6.2369 0.9196 -5.2242 H 1 noname 0.0672 34 H2 -9.5332 3.8657 -6.8082 H 1 noname 0.0535 35 H3 -9.8277 4.8300 -8.2751 H 1 noname 0.0535 36 H4 -10.1687 3.0830 -8.2751 H 1 noname 0.0535 37 H5 -5.4505 5.2091 -5.1749 H 1 noname 0.0857 38 H6 -5.0865 1.7292 -3.8264 H 1 noname 0.1358 39 H7 -3.1126 0.6775 -0.8516 H 1 noname 0.0843 40 H8 -1.9143 4.8400 -0.9675 H 1 noname 0.0634 41 H9 -4.8774 5.4639 -4.4761 H 1 noname 0.0679 42 H10 -0.8308 3.5158 0.3512 H 1 noname 0.0515 43 H11 -0.2208 1.0247 1.2882 H 1 noname 0.0250 44 H12 -0.9987 0.5762 -0.2487 H 1 noname 0.0250 45 H13 0.4115 1.6622 -0.2487 H 1 noname 0.0250 46 H14 -2.1882 8.8209 -0.5101 H 1 noname 0.0312 47 H15 -0.9736 8.9237 -1.8073 H 1 noname 0.0312 48 H16 -2.3712 10.0260 -1.8073 H 1 noname 0.0312 49 H17 -6.0163 8.1652 -5.1095 H 1 noname 0.1257 50 H18 -4.5881 8.1652 -6.1197 H 1 noname 0.1257 51 H19 -2.9728 4.5916 1.0538 H 1 noname 0.0454 52 H20 -4.1428 3.3854 1.9143 H 1 noname 0.0454 53 H21 -1.7676 2.2379 3.7562 H 1 noname 0.0454 54 H22 -0.2878 2.2601 2.5840 H 1 noname 0.0454 55 H23 -3.4458 5.8380 2.8406 H 1 noname 0.0579 56 H24 -3.8012 4.3258 3.9136 H 1 noname 0.0579 57 H25 -0.2936 3.9390 4.4818 H 1 noname 0.0579 58 H26 -0.2378 4.6241 2.7235 H 1 noname 0.0579 @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 10 1 10 7 9 1 11 10 11 1 12 11 12 2 13 11 13 1 14 12 14 1 15 13 15 1 16 13 16 2 17 14 17 2 18 15 18 2 19 15 19 1 20 16 17 1 21 20 17 1 22 18 21 1 23 19 22 2 24 20 23 1 25 20 24 1 26 21 25 2 27 21 26 1 28 22 27 1 29 22 25 1 30 23 28 1 31 23 29 1 32 28 30 1 33 29 31 1 34 30 32 1 35 31 32 1 36 4 33 1 37 8 34 1 38 8 35 1 39 8 36 1 40 9 37 1 41 10 38 1 42 14 39 1 43 16 40 1 44 19 41 1 45 20 42 1 46 24 43 1 47 24 44 1 48 24 45 1 49 26 46 1 50 26 47 1 51 26 48 1 52 27 49 1 53 27 50 1 54 28 51 1 55 28 52 1 56 29 53 1 57 29 54 1 58 30 55 1 59 30 56 1 60 31 57 1 61 31 58 1 @SUBSTRUCTURE 1 noname 1