@MOLECULE DB04254 43 46 1 SMALL USER_CHARGES @ATOM 1 F1 0.3957 -3.9368 -0.2256 F 1 noname -0.0898 2 C1 0.4732 -2.7123 0.2069 C.2 1 noname 0.1328 3 N1 0.6521 -2.4547 1.5442 N.2 1 noname -0.2111 4 N2 0.3778 -1.6605 -0.6633 N.2 1 noname -0.2030 5 C2 0.7437 -1.1898 2.0756 C.2 1 noname 0.0844 6 C3 0.4851 -0.3870 -0.1777 C.2 1 noname 0.1124 7 N3 0.8983 -0.9934 3.3920 N.3 1 noname -0.1006 8 C4 0.6682 -0.1147 1.1786 C.2 1 noname 0.0116 9 N4 0.4830 0.7759 -0.8377 N.3 1 noname 0.0208 10 N5 0.7801 1.2100 1.3538 N.2 1 noname -0.2237 11 C5 0.6268 1.7275 0.1156 C.2 1 noname -0.0317 12 C6 0.3579 0.9702 -2.2286 C.3 1 noname -0.0401 13 C7 0.8472 3.1472 -0.1903 C.3 1 noname 0.0644 14 C8 -1.1210 1.1172 -2.5921 C.3 1 noname -0.0372 15 C9 2.2750 3.4865 -0.4495 C.2 1 noname -0.0515 16 C10 -1.2567 1.3280 -4.1014 C.3 1 noname -0.0546 17 C11 2.6059 4.8320 -0.7541 C.2 1 noname -0.0117 18 C12 3.2940 2.4616 -0.3900 C.2 1 noname -0.0535 19 C13 -2.7356 1.4750 -4.4649 C.3 1 noname -0.0653 20 C14 3.9700 5.0929 -0.9897 C.2 1 noname 0.0314 21 C15 4.6547 2.7261 -0.6258 C.2 1 noname -0.0173 22 O1 4.5057 6.2845 -1.2925 O.3 1 noname -0.2451 23 C16 4.9417 4.0746 -0.9251 C.2 1 noname 0.0306 24 C17 5.8906 5.9084 -1.4079 C.3 1 noname 0.1587 25 O2 6.1748 4.5173 -1.1780 O.3 1 noname -0.2455 26 H1 1.8252 -0.9193 3.7862 H 1 noname 0.1258 27 H2 0.0878 -0.9193 3.9902 H 1 noname 0.1258 28 H3 0.8540 1.9190 -2.4332 H 1 noname 0.0473 29 H4 0.7298 0.0518 -2.6828 H 1 noname 0.0473 30 H5 0.3170 3.3318 -1.1246 H 1 noname 0.0395 31 H6 0.5656 3.6891 0.7125 H 1 noname 0.0395 32 H7 -1.5974 0.1639 -2.3634 H 1 noname 0.0282 33 H8 -1.4732 2.0311 -2.1138 H 1 noname 0.0282 34 H9 -0.7803 2.2813 -4.3301 H 1 noname 0.0264 35 H10 -0.9045 0.4141 -4.5797 H 1 noname 0.0264 36 H11 1.8548 5.6204 -0.8043 H 1 noname 0.0654 37 H12 3.0215 1.4328 -0.1544 H 1 noname 0.0626 38 H13 -3.3298 1.5340 -3.5529 H 1 noname 0.0230 39 H14 -2.8774 2.3834 -5.0503 H 1 noname 0.0230 40 H15 -3.0534 0.6122 -5.0503 H 1 noname 0.0230 41 H16 5.4211 1.9523 -0.5804 H 1 noname 0.0651 42 H17 6.1563 6.0910 -2.4491 H 1 noname 0.0892 43 H18 6.4058 6.4457 -0.6117 H 1 noname 0.0892 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 1 7 5 8 2 8 6 9 1 9 6 8 1 10 8 10 1 11 9 11 1 12 9 12 1 13 10 11 2 14 11 13 1 15 12 14 1 16 13 15 1 17 14 16 1 18 15 17 2 19 15 18 1 20 16 19 1 21 17 20 1 22 18 21 2 23 20 22 1 24 20 23 2 25 21 23 1 26 22 24 1 27 23 25 1 28 24 25 1 29 7 26 1 30 7 27 1 31 12 28 1 32 12 29 1 33 13 30 1 34 13 31 1 35 14 32 1 36 14 33 1 37 16 34 1 38 16 35 1 39 17 36 1 40 18 37 1 41 19 38 1 42 19 39 1 43 19 40 1 44 21 41 1 45 24 42 1 46 24 43 1 @SUBSTRUCTURE 1 noname 1