@MOLECULE 116147 69 73 1 SMALL USER_CHARGES @ATOM 1 F1 1.1236 2.3410 -4.6652 F 1 noname -0.1548 2 C1 1.5834 2.1170 -3.4690 C.2 1 noname 0.0796 3 C2 1.9598 3.1888 -2.6035 C.2 1 noname 0.0913 4 C3 1.7325 0.7933 -2.9674 C.2 1 noname 0.0265 5 C4 2.5003 3.0200 -1.2940 C.2 1 noname 0.0796 6 C5 1.7058 4.5744 -3.0049 C.2 1 noname 0.0481 7 C6 2.2504 0.5683 -1.6402 C.2 1 noname 0.0121 8 F2 2.8540 4.0405 -0.5687 F 1 noname -0.1548 9 C7 2.6352 1.6912 -0.8175 C.2 1 noname 0.0265 10 O1 2.6086 5.2937 -3.4848 O.2 1 noname -0.2877 11 N1 0.3181 5.0853 -2.8134 N.3 1 noname -0.0604 12 C8 2.4076 -0.7858 -1.1224 C.2 1 noname 0.0478 13 C9 0.3275 6.5551 -3.0306 C.3 1 noname 0.0190 14 C10 -0.5230 4.5486 -1.6746 C.3 1 noname 0.0190 15 N2 2.3226 -0.8748 0.2720 N.2 1 noname -0.2213 16 C11 2.6626 -1.9852 -1.8916 C.2 1 noname 0.0415 17 C12 0.6364 7.3263 -1.7245 C.3 1 noname 0.0120 18 C13 -0.7152 5.4868 -0.4550 C.3 1 noname 0.0120 19 C14 2.5000 -2.0324 0.9616 C.2 1 noname 0.0456 20 C15 2.7781 -2.1403 -3.2154 C.1 1 noname -0.0100 21 C16 2.8424 -3.1616 -1.1244 C.2 1 noname 0.0371 22 N3 0.2652 6.6166 -0.4423 N.3 1 noname -0.2952 23 N4 2.7645 -3.1573 0.2492 N.2 1 noname -0.2300 24 C17 2.8888 -2.3097 -4.4049 C.1 1 noname -0.0269 25 C18 3.1192 -4.4190 -1.8128 C.3 1 noname 0.0467 26 C19 -0.0479 7.5297 0.6892 C.3 1 noname 0.0357 27 C20 3.0024 -2.4697 -5.7009 C.2 1 noname -0.0258 28 C21 4.4704 -4.9672 -1.3497 C.3 1 noname -0.0597 29 C22 1.1302 8.4010 1.1303 C.3 1 noname 0.0696 30 C23 -1.2195 8.5269 0.5180 C.3 1 noname -0.0349 31 C24 2.5529 -1.4446 -6.5980 C.2 1 noname 0.0129 32 C25 3.5817 -3.6776 -6.2408 C.2 1 noname -0.0243 33 O2 2.0565 7.6229 1.8646 O.3 1 noname -0.3914 34 C26 0.4764 9.4379 2.0361 C.3 1 noname -0.0254 35 C27 -0.9718 9.6152 1.5604 C.3 1 noname -0.0492 36 N5 2.6966 -1.6635 -7.9486 N.2 1 noname -0.2633 37 C28 3.7169 -3.8744 -7.6480 C.2 1 noname -0.0315 38 C29 3.2528 -2.8221 -8.4871 C.2 1 noname 0.0173 39 N6 3.3526 -2.9480 -9.8175 N.3 1 noname -0.1209 40 H1 1.4500 -0.0482 -3.5999 H 1 noname 0.0660 41 H2 3.0357 1.5326 0.1838 H 1 noname 0.0660 42 H3 1.1541 6.7436 -3.7156 H 1 noname 0.0449 43 H4 -0.6908 6.8138 -3.3208 H 1 noname 0.0449 44 H5 -1.5162 4.4129 -2.1027 H 1 noname 0.0449 45 H6 0.0317 3.6879 -1.3010 H 1 noname 0.0449 46 H7 1.7210 7.4274 -1.6865 H 1 noname 0.0444 47 H8 0.0066 8.2156 -1.7465 H 1 noname 0.0444 48 H9 -1.6942 5.9528 -0.5674 H 1 noname 0.0444 49 H10 -0.4910 4.8974 0.4341 H 1 noname 0.0444 50 H11 2.4325 -2.0577 2.0492 H 1 noname 0.1061 51 H12 2.3500 -5.1171 -1.4826 H 1 noname 0.0329 52 H13 3.2103 -4.1684 -2.8697 H 1 noname 0.0329 53 H14 -0.3108 6.7443 1.3978 H 1 noname 0.0494 54 H15 4.5030 -4.9805 -0.2602 H 1 noname 0.0234 55 H16 4.6008 -5.9806 -1.7294 H 1 noname 0.0234 56 H17 5.2700 -4.3312 -1.7294 H 1 noname 0.0234 57 H18 1.7386 8.8123 0.3248 H 1 noname 0.0616 58 H19 -1.1262 8.9879 -0.4653 H 1 noname 0.0283 59 H20 -2.1402 8.0127 0.7937 H 1 noname 0.0283 60 H21 2.1073 -0.5100 -6.2573 H 1 noname 0.0853 61 H22 3.9265 -4.4625 -5.5676 H 1 noname 0.0637 62 H23 1.9063 7.7491 2.8043 H 1 noname 0.2105 63 H24 0.4390 9.0103 3.0381 H 1 noname 0.0293 64 H25 0.9921 10.3830 1.8659 H 1 noname 0.0293 65 H26 -1.0336 10.5756 1.0487 H 1 noname 0.0268 66 H27 -1.6234 9.4069 2.4090 H 1 noname 0.0268 67 H28 4.1531 -4.7837 -8.0614 H 1 noname 0.0656 68 H29 2.5180 -2.9954 -10.3842 H 1 noname 0.1257 69 H30 4.2624 -2.9954 -10.2534 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 26 29 1 32 26 30 1 33 27 31 2 34 27 32 1 35 29 33 1 36 29 34 1 37 30 35 1 38 31 36 1 39 32 37 2 40 34 35 1 41 36 38 2 42 37 38 1 43 38 39 1 44 4 40 1 45 9 41 1 46 13 42 1 47 13 43 1 48 14 44 1 49 14 45 1 50 17 46 1 51 17 47 1 52 18 48 1 53 18 49 1 54 19 50 1 55 25 51 1 56 25 52 1 57 26 53 1 58 28 54 1 59 28 55 1 60 28 56 1 61 29 57 1 62 30 58 1 63 30 59 1 64 31 60 1 65 32 61 1 66 33 62 1 67 34 63 1 68 34 64 1 69 35 65 1 70 35 66 1 71 37 67 1 72 39 68 1 73 39 69 1 @SUBSTRUCTURE 1 noname 1