@MOLECULE 115857 58 61 1 SMALL USER_CHARGES @ATOM 1 F1 3.1157 -0.9745 2.8564 F 1 noname -0.1548 2 C1 1.8548 -0.7109 3.0385 C.2 1 noname 0.0796 3 C2 1.3794 -0.1726 4.2729 C.2 1 noname 0.0913 4 C3 0.8945 -0.9476 2.0158 C.2 1 noname 0.0265 5 C4 0.0089 0.1123 4.5500 C.2 1 noname 0.0796 6 C5 2.3426 0.2314 5.3125 C.2 1 noname 0.0481 7 C6 -0.4982 -0.6620 2.2314 C.2 1 noname 0.0121 8 F2 -0.3655 0.5732 5.7075 F 1 noname -0.1548 9 C7 -0.9298 -0.1273 3.5120 C.2 1 noname 0.0265 10 O1 2.6231 -0.5275 6.2653 O.2 1 noname -0.2877 11 N1 2.9709 1.5788 5.1867 N.3 1 noname -0.0604 12 C8 -1.4842 -0.9051 1.1972 C.2 1 noname 0.0478 13 C9 3.6270 1.9258 6.4798 C.3 1 noname 0.0189 14 C10 2.2046 2.6812 4.4796 C.3 1 noname 0.0189 15 N2 -2.6002 -0.1018 1.2694 N.2 1 noname -0.2213 16 C11 -1.4201 -1.9008 0.1533 C.2 1 noname 0.0415 17 C12 2.7111 2.7445 7.4485 C.3 1 noname 0.0113 18 C13 1.6818 3.8436 5.3708 C.3 1 noname 0.0113 19 C14 -3.6793 -0.1996 0.4421 C.2 1 noname 0.0456 20 C15 -0.4518 -2.7675 -0.1108 C.1 1 noname -0.0100 21 C16 -2.5482 -1.9860 -0.6857 C.2 1 noname 0.0371 22 N3 1.5494 3.4304 6.7940 N.3 1 noname -0.3037 23 N4 -3.6196 -1.1609 -0.5230 N.2 1 noname -0.2300 24 C17 0.4117 -3.5661 -0.3825 C.1 1 noname -0.0269 25 C18 -2.5695 -2.9811 -1.7538 C.3 1 noname 0.0467 26 C19 1.1458 4.5814 7.6000 C.3 1 noname -0.0132 27 C20 1.3749 -4.4395 -0.6678 C.2 1 noname -0.0258 28 C21 -3.7512 -3.9299 -1.5434 C.3 1 noname -0.0597 29 C22 2.6356 -4.3586 0.0026 C.2 1 noname 0.0129 30 C23 1.1789 -5.4760 -1.6411 C.2 1 noname -0.0243 31 N5 3.5992 -5.2915 -0.3298 N.2 1 noname -0.2633 32 C24 2.1885 -6.4286 -1.9682 C.2 1 noname -0.0315 33 C25 3.4182 -6.2916 -1.2652 C.2 1 noname 0.0173 34 N6 4.4181 -7.1479 -1.5151 N.3 1 noname -0.1209 35 H1 1.2283 -1.3508 1.0597 H 1 noname 0.0660 36 H2 -1.9797 0.0989 3.6980 H 1 noname 0.0660 37 H3 3.8199 0.9681 6.9632 H 1 noname 0.0449 38 H4 4.4583 2.5762 6.2077 H 1 noname 0.0449 39 H5 2.9289 3.1313 3.8007 H 1 noname 0.0449 40 H6 1.3163 2.1906 4.0816 H 1 noname 0.0449 41 H7 2.2595 2.0226 8.1290 H 1 noname 0.0443 42 H8 3.3254 3.5542 7.8422 H 1 noname 0.0443 43 H9 2.4455 4.6212 5.3636 H 1 noname 0.0443 44 H10 0.6689 4.0713 5.0386 H 1 noname 0.0443 45 H11 -4.5439 0.4560 0.5467 H 1 noname 0.1061 46 H12 -2.7515 -2.4280 -2.6752 H 1 noname 0.0329 47 H13 -1.6553 -3.5635 -1.6392 H 1 noname 0.0329 48 H14 1.2330 4.3328 8.6577 H 1 noname 0.0394 49 H15 1.7916 5.4293 7.3717 H 1 noname 0.0394 50 H16 0.1119 4.8404 7.3717 H 1 noname 0.0394 51 H17 -3.9216 -4.0667 -0.4755 H 1 noname 0.0234 52 H18 -4.6442 -3.5054 -2.0023 H 1 noname 0.0234 53 H19 -3.5298 -4.8934 -2.0023 H 1 noname 0.0234 54 H20 2.8580 -3.5999 0.7530 H 1 noname 0.0853 55 H21 0.2200 -5.5427 -2.1551 H 1 noname 0.0637 56 H22 2.0302 -7.2122 -2.7091 H 1 noname 0.0656 57 H23 4.2260 -8.1349 -1.6093 H 1 noname 0.1257 58 H24 5.3639 -6.8062 -1.6093 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 22 26 1 29 24 27 1 30 25 28 1 31 27 29 2 32 27 30 1 33 29 31 1 34 30 32 2 35 31 33 2 36 32 33 1 37 33 34 1 38 4 35 1 39 9 36 1 40 13 37 1 41 13 38 1 42 14 39 1 43 14 40 1 44 17 41 1 45 17 42 1 46 18 43 1 47 18 44 1 48 19 45 1 49 25 46 1 50 25 47 1 51 26 48 1 52 26 49 1 53 26 50 1 54 28 51 1 55 28 52 1 56 28 53 1 57 29 54 1 58 30 55 1 59 32 56 1 60 34 57 1 61 34 58 1 @SUBSTRUCTURE 1 noname 1