@MOLECULE 118796439 50 53 1 SMALL USER_CHARGES @ATOM 1 F1 -1.9277 5.6619 -4.3471 F 1 noname -0.1661 2 O1 1.5973 -1.3702 -1.8369 O.2 1 noname -0.2938 3 N1 0.6199 2.1955 0.1625 N.3 1 noname -0.0283 4 C1 4.6690 -1.6880 -1.5549 C.3 1 noname -0.0189 5 C2 4.4357 -1.5812 0.0100 C.3 1 noname -0.0189 6 C3 3.7538 -0.5793 -0.9721 C.3 1 noname 0.0337 7 C4 6.0970 -1.2552 -2.0411 C.3 1 noname -0.0586 8 C5 4.1051 -2.8651 -2.4420 C.3 1 noname -0.0586 9 C6 3.5402 -2.6467 0.7153 C.3 1 noname -0.0586 10 C7 5.6278 -0.9726 0.8623 C.3 1 noname -0.0586 11 C8 2.2756 -0.6114 -1.1106 C.2 1 noname 0.1062 12 C9 1.4862 0.2611 -0.4415 C.2 1 noname 0.0007 13 C10 0.2509 -0.0172 0.1151 C.2 1 noname -0.0151 14 C11 1.7077 1.6257 -0.3910 C.2 1 noname -0.0582 15 C12 -0.2702 1.2281 0.4763 C.2 1 noname -0.0739 16 C13 -0.4338 -1.2405 0.3155 C.2 1 noname -0.0347 17 C14 0.4527 3.6013 0.2780 C.3 1 noname -0.0176 18 C15 -1.5570 1.2562 1.0654 C.2 1 noname -0.0415 19 C16 -1.7050 -1.1905 0.9212 C.2 1 noname -0.0532 20 C17 -2.2530 0.0497 1.2941 C.2 1 noname -0.0508 21 C18 -0.1591 4.1153 -0.9650 C.2 1 noname -0.0510 22 C19 -1.4277 4.7268 -0.8768 C.2 1 noname -0.0419 23 C20 0.4828 3.9998 -2.2268 C.2 1 noname -0.0419 24 C21 -2.0243 5.2569 -2.0319 C.2 1 noname -0.0074 25 C22 -0.1251 4.5220 -3.3765 C.2 1 noname -0.0074 26 C23 -1.3747 5.1591 -3.2782 C.2 1 noname 0.0160 27 H1 4.1711 0.4257 -0.9372 H 1 noname 0.0398 28 H2 4.3315 -2.6776 -3.5190 H 1 noname 0.0236 29 H3 3.5768 -2.5240 1.7841 H 1 noname 0.0236 30 H4 2.4924 -2.5989 0.3903 H 1 noname 0.0236 31 H5 3.9262 -3.6164 0.5309 H 1 noname 0.0236 32 H6 5.4037 -0.9219 1.9351 H 1 noname 0.0236 33 H7 5.9295 0.0485 0.5864 H 1 noname 0.0236 34 H8 6.2052 -1.3662 -3.1258 H 1 noname 0.0236 35 H9 6.3327 -0.2273 -1.8110 H 1 noname 0.0236 36 H10 6.8416 -1.9035 -1.5783 H 1 noname 0.0236 37 H11 6.5353 -1.5807 0.7719 H 1 noname 0.0236 38 H12 3.0429 -3.0880 -2.3770 H 1 noname 0.0236 39 H13 4.6666 -3.7618 -2.1798 H 1 noname 0.0236 40 H14 2.5270 2.1279 -0.7629 H 1 noname 0.0799 41 H15 -0.0349 -2.1440 0.0497 H 1 noname 0.0629 42 H16 -0.2004 3.8214 1.1224 H 1 noname 0.0523 43 H17 1.4558 4.0254 0.3224 H 1 noname 0.0523 44 H18 -1.9561 2.1500 1.3193 H 1 noname 0.0642 45 H19 -2.2197 -2.0628 1.0829 H 1 noname 0.0622 46 H20 -3.1681 0.0813 1.7509 H 1 noname 0.0623 47 H21 -1.9225 4.7999 0.0213 H 1 noname 0.0627 48 H22 1.3951 3.5457 -2.3391 H 1 noname 0.0627 49 H23 -2.9309 5.7196 -1.9556 H 1 noname 0.0653 50 H24 0.3543 4.4388 -4.2774 H 1 noname 0.0653 @BOND 1 1 26 1 2 2 11 2 3 3 14 1 4 3 15 1 5 3 17 1 6 4 5 1 7 4 6 1 8 4 7 1 9 4 8 1 10 5 6 1 11 5 9 1 12 5 10 1 13 6 11 1 14 6 27 1 15 7 34 1 16 7 35 1 17 7 36 1 18 8 28 1 19 8 38 1 20 8 39 1 21 9 29 1 22 9 30 1 23 9 31 1 24 10 32 1 25 10 33 1 26 10 37 1 27 11 12 1 28 12 13 1 29 12 14 2 30 13 15 1 31 13 16 2 32 14 40 1 33 15 18 2 34 16 19 1 35 16 41 1 36 17 21 1 37 17 42 1 38 17 43 1 39 18 20 1 40 18 44 1 41 19 20 2 42 19 45 1 43 20 46 1 44 21 22 2 45 21 23 1 46 22 24 1 47 22 47 1 48 23 25 2 49 23 48 1 50 24 26 2 51 24 49 1 52 25 26 1 53 25 50 1 @SUBSTRUCTURE 1 noname 1