@MOLECULE 125254 43 47 1 SMALL USER_CHARGES @ATOM 1 F1 3.8866 -3.2720 1.4451 F 1 noname -0.1660 2 C1 2.6922 -3.9185 1.2578 C.3 1 noname 0.4176 3 F2 2.9032 -5.2731 1.2427 F 1 noname -0.1660 4 F3 1.8353 -3.6008 2.2798 F 1 noname -0.1660 5 C2 2.1080 -3.5028 -0.0140 C.2 1 noname 0.0036 6 C3 0.8442 -2.8768 -0.0627 C.2 1 noname 0.0381 7 C4 2.7924 -3.7158 -1.2340 C.2 1 noname 0.0188 8 N1 0.3250 -2.5211 -1.2719 N.2 1 noname -0.2406 9 C5 2.2645 -3.3182 -2.4986 C.2 1 noname 0.0129 10 C6 0.9515 -2.7193 -2.4860 C.2 1 noname 0.0569 11 C7 3.0937 -3.4952 -3.6566 C.2 1 noname 0.0642 12 N2 0.2920 -2.3290 -3.6254 N.3 1 noname 0.0124 13 N3 4.4645 -3.3304 -3.5634 N.2 1 noname -0.2497 14 C8 2.5941 -3.7809 -4.9520 C.2 1 noname 0.0377 15 C9 -1.0496 -2.2895 -3.8692 C.2 1 noname 0.0023 16 C10 5.3367 -3.3454 -4.6182 C.2 1 noname 0.0551 17 N4 1.3779 -4.0639 -5.4380 N.2 1 noname -0.2203 18 C11 3.4851 -3.7866 -6.0225 C.2 1 noname 0.1149 19 C12 -1.5694 -1.8535 -5.1186 C.2 1 noname 0.0043 20 C13 -1.9963 -2.7106 -2.8848 C.2 1 noname -0.0396 21 N5 4.8175 -3.5547 -5.8610 N.2 1 noname -0.2287 22 C14 6.7692 -3.1449 -4.4196 C.3 1 noname 0.0663 23 C15 1.5109 -4.2284 -6.7680 C.2 1 noname -0.0476 24 N6 2.7969 -4.0590 -7.1374 N.3 1 noname 0.0020 25 C16 -2.9518 -1.8229 -5.3712 C.2 1 noname -0.0590 26 C17 -0.9528 -1.3946 -6.2741 C.2 1 noname 0.0271 27 C18 -3.3920 -2.6823 -3.1203 C.2 1 noname -0.0466 28 N7 -3.1215 -1.3669 -6.6151 N.3 1 noname -0.0266 29 C19 -3.8766 -2.2351 -4.3774 C.2 1 noname -0.0486 30 N8 -1.9538 -1.1234 -7.1258 N.2 1 noname -0.3151 31 H1 0.2665 -2.6671 0.8376 H 1 noname 0.0846 32 H2 3.7654 -4.2057 -1.1983 H 1 noname 0.0637 33 H3 0.8762 -2.0286 -4.3925 H 1 noname 0.1357 34 H4 -1.6405 -3.0668 -1.9180 H 1 noname 0.0639 35 H5 6.9872 -3.1144 -3.3521 H 1 noname 0.0312 36 H6 7.3183 -3.9667 -4.8792 H 1 noname 0.0312 37 H7 7.0715 -2.2039 -4.8792 H 1 noname 0.0312 38 H8 0.6935 -4.4652 -7.4490 H 1 noname 0.1013 39 H9 3.1735 -4.1239 -8.0724 H 1 noname 0.1552 40 H10 0.1116 -1.2710 -6.4740 H 1 noname 0.0863 41 H11 -4.0858 -3.0013 -2.3425 H 1 noname 0.0623 42 H12 -3.9986 -1.2275 -7.0961 H 1 noname 0.1754 43 H13 -4.9477 -2.2085 -4.5776 H 1 noname 0.0643 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 2 10 9 11 1 11 9 10 1 12 10 12 1 13 11 13 2 14 11 14 1 15 12 15 1 16 13 16 1 17 14 17 1 18 14 18 2 19 15 19 2 20 15 20 1 21 16 21 2 22 16 22 1 23 17 23 2 24 18 24 1 25 18 21 1 26 19 25 1 27 19 26 1 28 20 27 2 29 23 24 1 30 25 28 1 31 25 29 2 32 26 30 2 33 27 29 1 34 28 30 1 35 6 31 1 36 7 32 1 37 12 33 1 38 20 34 1 39 22 35 1 40 22 36 1 41 22 37 1 42 23 38 1 43 24 39 1 44 26 40 1 45 27 41 1 46 28 42 1 47 29 43 1 @SUBSTRUCTURE 1 noname 1