@MOLECULE 115870 55 58 1 SMALL USER_CHARGES @ATOM 1 F1 3.1168 -0.9744 2.8550 F 1 noname -0.1548 2 C1 1.8558 -0.7119 3.0383 C.2 1 noname 0.0796 3 C2 1.3810 -0.1757 4.2739 C.2 1 noname 0.0913 4 C3 0.8950 -0.9476 2.0159 C.2 1 noname 0.0265 5 C4 0.0106 0.1079 4.5523 C.2 1 noname 0.0796 6 C5 2.3446 0.2272 5.3134 C.2 1 noname 0.0480 7 C6 -0.4977 -0.6632 2.2330 C.2 1 noname 0.0121 8 F2 -0.3634 0.5668 5.7108 F 1 noname -0.1548 9 C7 -0.9287 -0.1307 3.5147 C.2 1 noname 0.0265 10 O1 2.6262 -0.5329 6.2649 O.2 1 noname -0.2877 11 N1 2.9720 1.5752 5.1893 N.3 1 noname -0.0605 12 C8 -1.4843 -0.9053 1.1990 C.2 1 noname 0.0478 13 C9 3.6288 1.9206 6.4825 C.3 1 noname 0.0187 14 C10 2.2046 2.6782 4.4844 C.3 1 noname 0.0187 15 N2 -2.6006 -0.1028 1.2732 N.2 1 noname -0.2213 16 C11 -1.4202 -1.8993 0.1536 C.2 1 noname 0.0415 17 C12 2.7131 2.7373 7.4531 C.3 1 noname 0.0086 18 C13 1.6816 3.8389 5.3778 C.3 1 noname 0.0086 19 C14 -3.6803 -0.1999 0.4464 C.2 1 noname 0.0456 20 C15 -0.4515 -2.7651 -0.1126 C.1 1 noname -0.0100 21 C16 -2.5488 -1.9839 -0.6848 C.2 1 noname 0.0371 22 N3 1.5504 3.4235 6.8004 N.3 1 noname -0.3141 23 N4 -3.6206 -1.1597 -0.5202 N.2 1 noname -0.2300 24 C17 0.4122 -3.5626 -0.3860 C.1 1 noname -0.0269 25 C18 -2.5702 -2.9774 -1.7544 C.3 1 noname 0.0467 26 C19 1.3757 -4.4351 -0.6734 C.2 1 noname -0.0258 27 C20 -3.7512 -3.9272 -1.5447 C.3 1 noname -0.0597 28 C21 2.6369 -4.3544 -0.0036 C.2 1 noname 0.0129 29 C22 1.1797 -5.4702 -1.6481 C.2 1 noname -0.0243 30 N5 3.6008 -5.2863 -0.3381 N.2 1 noname -0.2633 31 C23 2.1897 -6.4216 -1.9773 C.2 1 noname -0.0315 32 C24 3.4198 -6.2850 -1.2749 C.2 1 noname 0.0173 33 N6 4.4201 -7.1403 -1.5268 N.3 1 noname -0.1209 34 H1 1.2285 -1.3491 1.0590 H 1 noname 0.0660 35 H2 -1.9787 0.0946 3.7016 H 1 noname 0.0660 36 H3 3.8226 0.9623 6.9643 H 1 noname 0.0449 37 H4 4.4595 2.5719 6.2108 H 1 noname 0.0449 38 H5 2.9281 3.1299 3.8057 H 1 noname 0.0449 39 H6 1.3163 2.1877 4.0863 H 1 noname 0.0449 40 H7 2.2624 2.0141 8.1327 H 1 noname 0.0441 41 H8 3.3271 3.5468 7.8476 H 1 noname 0.0441 42 H9 2.4449 4.6171 5.3712 H 1 noname 0.0441 43 H10 0.6684 4.0665 5.0466 H 1 noname 0.0441 44 H11 -4.5452 0.4549 0.5526 H 1 noname 0.1061 45 H12 0.6962 3.6023 7.3087 H 1 noname 0.1223 46 H13 -2.7531 -2.4230 -2.6749 H 1 noname 0.0329 47 H14 -1.6556 -3.5594 -1.6414 H 1 noname 0.0329 48 H15 -3.9219 -4.0645 -0.4769 H 1 noname 0.0234 49 H16 -4.6444 -3.5034 -2.0038 H 1 noname 0.0234 50 H17 -3.5288 -4.8904 -2.0038 H 1 noname 0.0234 51 H18 2.8593 -3.5967 0.7478 H 1 noname 0.0853 52 H19 0.2205 -5.5367 -2.1616 H 1 noname 0.0637 53 H20 2.0314 -7.2043 -2.7193 H 1 noname 0.0656 54 H21 4.2286 -8.1274 -1.6218 H 1 noname 0.1257 55 H22 5.3655 -6.7978 -1.6218 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 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 12 1 12 7 9 1 13 11 13 1 14 11 14 1 15 12 15 2 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 16 20 1 21 16 21 2 22 17 22 1 23 18 22 1 24 19 23 2 25 20 24 3 26 21 25 1 27 21 23 1 28 24 26 1 29 25 27 1 30 26 28 2 31 26 29 1 32 28 30 1 33 29 31 2 34 30 32 2 35 31 32 1 36 32 33 1 37 4 34 1 38 9 35 1 39 13 36 1 40 13 37 1 41 14 38 1 42 14 39 1 43 17 40 1 44 17 41 1 45 18 42 1 46 18 43 1 47 19 44 1 48 22 45 1 49 25 46 1 50 25 47 1 51 27 48 1 52 27 49 1 53 27 50 1 54 28 51 1 55 29 52 1 56 31 53 1 57 33 54 1 58 33 55 1 @SUBSTRUCTURE 1 noname 1