@MOLECULE 115867 53 56 1 SMALL USER_CHARGES @ATOM 1 F1 2.8177 -1.6526 3.2640 F 1 noname -0.1548 2 C1 1.6736 -1.0332 3.2617 C.2 1 noname 0.0795 3 C2 1.3372 -0.0953 4.2776 C.2 1 noname 0.0913 4 C3 0.7124 -1.2647 2.2482 C.2 1 noname 0.0265 5 C4 0.0883 0.5970 4.3411 C.2 1 noname 0.0795 6 C5 2.3422 0.1127 5.3282 C.2 1 noname 0.0475 7 C6 -0.5484 -0.5762 2.2453 C.2 1 noname 0.0121 8 F2 -0.1781 1.4135 5.3183 F 1 noname -0.1548 9 C7 -0.8499 0.3650 3.3058 C.2 1 noname 0.0265 10 O1 2.7613 -0.8530 6.0023 O.2 1 noname -0.2879 11 N1 2.8588 1.4936 5.5823 N.3 1 noname -0.0622 12 C8 -1.5222 -0.8393 1.1970 C.2 1 noname 0.0478 13 C9 3.6380 1.4523 6.8258 C.3 1 noname 0.0061 14 C10 1.8924 2.5620 5.9383 C.3 1 noname 0.0061 15 N2 -2.6663 -0.0768 1.2632 N.2 1 noname -0.2213 16 C11 -1.4055 -1.8087 0.1325 C.2 1 noname 0.0415 17 C12 2.6718 1.6535 8.0123 C.3 1 noname -0.0387 18 C13 1.5138 2.4567 7.4215 C.3 1 noname -0.0387 19 C14 -3.7113 -0.1707 0.3953 C.2 1 noname 0.0456 20 C15 -0.4274 -2.6596 -0.1542 C.1 1 noname -0.0100 21 C16 -2.4944 -1.8880 -0.7519 C.2 1 noname 0.0371 22 N3 -3.5867 -1.0925 -0.6023 N.2 1 noname -0.2300 23 C17 0.4304 -3.4525 -0.4598 C.1 1 noname -0.0269 24 C18 -2.4520 -2.8444 -1.8542 C.3 1 noname 0.0467 25 C19 1.3859 -4.3211 -0.7847 C.2 1 noname -0.0258 26 C20 -3.6198 -3.8244 -1.7244 C.3 1 noname -0.0597 27 C21 2.6441 -4.2824 -0.1054 C.2 1 noname 0.0129 28 C22 1.1872 -5.3075 -1.8070 C.2 1 noname -0.0243 29 N4 3.6026 -5.2070 -0.4789 N.2 1 noname -0.2633 30 C23 2.1907 -6.2521 -2.1760 C.2 1 noname -0.0315 31 C24 3.4185 -6.1581 -1.4610 C.2 1 noname 0.0173 32 N5 4.4132 -7.0091 -1.7473 N.3 1 noname -0.1209 33 H1 0.9458 -1.9814 1.4608 H 1 noname 0.0660 34 H2 -1.7958 0.9063 3.3250 H 1 noname 0.0660 35 H3 4.0462 0.4440 6.8948 H 1 noname 0.0435 36 H4 4.3088 2.3108 6.7921 H 1 noname 0.0435 37 H5 2.4232 3.5049 5.8068 H 1 noname 0.0435 38 H6 0.9912 2.3586 5.3599 H 1 noname 0.0435 39 H7 2.2847 0.6765 8.3015 H 1 noname 0.0280 40 H8 3.1699 2.2826 8.7501 H 1 noname 0.0280 41 H9 1.5414 3.4577 7.8521 H 1 noname 0.0280 42 H10 0.6088 1.8543 7.5002 H 1 noname 0.0280 43 H11 -4.5975 0.4564 0.4934 H 1 noname 0.1061 44 H12 -2.6100 -2.2625 -2.7622 H 1 noname 0.0329 45 H13 -1.5303 -3.4115 -1.7238 H 1 noname 0.0329 46 H14 -3.8303 -4.0011 -0.6696 H 1 noname 0.0234 47 H15 -4.5026 -3.4034 -2.2055 H 1 noname 0.0234 48 H16 -3.3584 -4.7669 -2.2055 H 1 noname 0.0234 49 H17 2.8681 -3.5622 0.6815 H 1 noname 0.0853 50 H18 0.2299 -5.3409 -2.3272 H 1 noname 0.0637 51 H19 2.0298 -6.9978 -2.9545 H 1 noname 0.0656 52 H20 4.2194 -7.9945 -1.8552 H 1 noname 0.1257 53 H21 5.3567 -6.6652 -1.8552 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 18 1 23 19 22 2 24 20 23 3 25 21 24 1 26 21 22 1 27 23 25 1 28 24 26 1 29 25 27 2 30 25 28 1 31 27 29 1 32 28 30 2 33 29 31 2 34 30 31 1 35 31 32 1 36 4 33 1 37 9 34 1 38 13 35 1 39 13 36 1 40 14 37 1 41 14 38 1 42 17 39 1 43 17 40 1 44 18 41 1 45 18 42 1 46 19 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 28 50 1 54 30 51 1 55 32 52 1 56 32 53 1 @SUBSTRUCTURE 1 noname 1