@MOLECULE 116176 59 63 1 SMALL USER_CHARGES @ATOM 1 F1 4.4720 -1.2654 6.5487 F 1 noname -0.1568 2 C1 3.4016 -0.5296 6.6236 C.2 1 noname 0.0676 3 C2 2.1040 -1.0545 6.3497 C.2 1 noname 0.0465 4 C3 3.4568 0.8454 6.9835 C.2 1 noname 0.0321 5 C4 2.1123 -2.4495 5.8672 C.2 1 noname 0.0320 6 C5 0.9009 -0.2800 6.4792 C.2 1 noname 0.0036 7 C6 2.2748 1.6854 7.0752 C.2 1 noname -0.0001 8 O1 3.1666 -3.0581 5.5833 O.2 1 noname -0.2914 9 N1 0.7822 -3.0678 5.7465 N.3 1 noname -0.0646 10 C7 1.0020 1.0839 6.8333 C.2 1 noname -0.0217 11 C8 2.3136 3.1021 7.4119 C.2 1 noname 0.0476 12 C9 0.5946 -4.4806 6.0646 C.3 1 noname 0.0105 13 C10 -0.1418 -2.6986 4.6661 C.3 1 noname 0.0105 14 N2 1.1153 3.8095 7.4176 N.2 1 noname -0.2222 15 C11 3.4921 3.8471 7.7557 C.2 1 noname 0.0406 16 C12 -0.9307 -4.3970 6.2361 C.3 1 noname -0.0102 17 C13 -1.4080 -3.3417 5.2317 C.3 1 noname -0.0102 18 C14 1.0041 5.1315 7.7346 C.2 1 noname 0.0454 19 C15 4.6912 3.3585 7.7969 C.1 1 noname -0.0101 20 C16 3.3681 5.2128 8.0845 C.2 1 noname 0.0370 21 C17 -1.6904 -5.6660 5.8624 C.3 1 noname -0.0004 22 C18 -2.1423 -4.0869 4.1205 C.3 1 noname -0.0004 23 N3 2.1400 5.8015 8.0644 N.2 1 noname -0.2309 24 C19 5.7381 2.7868 7.7995 C.1 1 noname -0.0269 25 C20 4.5495 5.9913 8.4445 C.3 1 noname 0.0467 26 N4 -2.1440 -5.5134 4.4719 N.3 1 noname -0.3160 27 C21 6.8775 2.1390 7.7984 C.2 1 noname -0.0258 28 C22 4.7148 7.1517 7.4610 C.3 1 noname -0.0597 29 C23 7.0332 0.9454 8.5653 C.2 1 noname 0.0129 30 C24 7.9676 2.6784 7.0559 C.2 1 noname -0.0243 31 N5 8.2860 0.3754 8.5360 N.2 1 noname -0.2633 32 C25 9.2437 2.0644 7.0496 C.2 1 noname -0.0315 33 C26 9.3626 0.8749 7.8305 C.2 1 noname 0.0173 34 N6 10.5379 0.2330 7.8793 N.3 1 noname -0.1209 35 H1 4.4380 1.2697 7.1963 H 1 noname 0.0660 36 H2 -0.0804 -0.7236 6.3102 H 1 noname 0.0631 37 H3 0.0913 1.6765 6.9205 H 1 noname 0.0629 38 H4 0.8432 -5.0773 5.1870 H 1 noname 0.0439 39 H5 1.0705 -4.6943 7.0217 H 1 noname 0.0439 40 H6 -0.2532 -1.6143 4.6600 H 1 noname 0.0439 41 H7 0.1597 -3.2206 3.7580 H 1 noname 0.0439 42 H8 -1.1267 -4.1949 7.2892 H 1 noname 0.0333 43 H9 -2.0641 -2.5891 5.6690 H 1 noname 0.0333 44 H10 0.0382 5.6364 7.7248 H 1 noname 0.1061 45 H11 -0.9812 -6.4937 5.8696 H 1 noname 0.0431 46 H12 -2.5876 -5.7117 6.4796 H 1 noname 0.0431 47 H13 -3.1829 -3.7626 4.1324 H 1 noname 0.0431 48 H14 -1.5523 -3.9921 3.2088 H 1 noname 0.0431 49 H15 4.3397 6.4183 9.4252 H 1 noname 0.0329 50 H16 5.4006 5.3234 8.3116 H 1 noname 0.0329 51 H17 -2.4137 -6.2676 3.8566 H 1 noname 0.1222 52 H18 4.8472 8.0812 8.0147 H 1 noname 0.0234 53 H19 5.5885 6.9747 6.8339 H 1 noname 0.0234 54 H20 3.8264 7.2257 6.8339 H 1 noname 0.0234 55 H21 6.2318 0.4900 9.1470 H 1 noname 0.0853 56 H22 7.8209 3.5888 6.4747 H 1 noname 0.0637 57 H23 10.0772 2.4790 6.4827 H 1 noname 0.0656 58 H24 10.5616 -0.7765 7.8977 H 1 noname 0.1257 59 H25 11.4000 0.7588 7.8977 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 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 16 12 1 17 17 13 1 18 14 18 1 19 15 19 1 20 15 20 2 21 16 21 1 22 16 17 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 26 1 30 24 27 1 31 25 28 1 32 27 29 2 33 27 30 1 34 29 31 1 35 30 32 2 36 31 33 2 37 32 33 1 38 33 34 1 39 4 35 1 40 6 36 1 41 10 37 1 42 12 38 1 43 12 39 1 44 13 40 1 45 13 41 1 46 16 42 1 47 17 43 1 48 18 44 1 49 21 45 1 50 21 46 1 51 22 47 1 52 22 48 1 53 25 49 1 54 25 50 1 55 26 51 1 56 28 52 1 57 28 53 1 58 28 54 1 59 29 55 1 60 30 56 1 61 32 57 1 62 34 58 1 63 34 59 1 @SUBSTRUCTURE 1 noname 1