@MOLECULE DB06939 53 54 1 SMALL USER_CHARGES @ATOM 1 F1 2.4750 -0.9292 1.1575 F 1 noname -0.2458 2 C1 1.2821 -0.8692 0.4845 C.3 1 noname 0.1145 3 C2 1.2983 0.3198 -0.4763 C.3 1 noname 0.0373 4 C3 0.1631 -0.4694 1.4597 C.3 1 noname -0.0071 5 N1 -0.1235 0.6397 -0.6292 N.3 1 noname -0.0625 6 C4 -0.5552 0.6832 0.7698 C.3 1 noname 0.0087 7 C5 -0.8360 0.8387 -1.7465 C.2 1 noname 0.0514 8 O1 -1.8194 1.6102 -1.7317 O.2 1 noname -0.2891 9 C6 -0.4636 0.1544 -2.9813 C.3 1 noname 0.0819 10 N2 -0.5265 -1.2916 -2.7751 N.3 1 noname -0.3201 11 C7 -1.4316 0.5531 -4.0972 C.3 1 noname -0.0176 12 C8 -1.0413 -0.1641 -5.3911 C.3 1 noname -0.0367 13 C9 -1.3657 2.0663 -4.3129 C.3 1 noname -0.0603 14 C10 -2.0093 0.2346 -6.5070 C.3 1 noname -0.0486 15 C11 0.3826 0.2335 -5.7851 C.3 1 noname -0.0486 16 C12 -1.6191 -0.4825 -7.8010 C.3 1 noname -0.0368 17 C13 0.7729 -0.4836 -7.0790 C.3 1 noname -0.0368 18 C14 -0.1951 -0.0850 -8.1949 C.3 1 noname 0.0168 19 N3 0.1645 -0.7459 -9.3874 N.3 1 noname -0.0712 20 C15 0.4930 -0.0348 -10.4746 C.2 1 noname 0.0403 21 C16 0.1785 -2.1550 -9.4358 C.3 1 noname -0.0055 22 O2 -0.0154 1.0917 -10.6617 O.2 1 noname -0.2964 23 C17 1.4447 -0.5758 -11.4406 C.3 1 noname 0.0097 24 H1 1.2235 -1.8619 0.0381 H 1 noname 0.0674 25 H2 1.7729 1.1658 0.0210 H 1 noname 0.0465 26 H3 1.6644 -0.0180 -1.4458 H 1 noname 0.0465 27 H4 -0.5369 -1.3022 1.5271 H 1 noname 0.0310 28 H5 0.6296 -0.0751 2.3625 H 1 noname 0.0310 29 H6 -1.6244 0.4718 0.7790 H 1 noname 0.0436 30 H7 -0.1806 1.6170 1.1890 H 1 noname 0.0436 31 H8 0.5660 0.4209 -3.2199 H 1 noname 0.0562 32 H9 -1.4221 -1.7531 -2.7039 H 1 noname 0.1191 33 H10 0.3256 -1.8291 -2.7039 H 1 noname 0.1191 34 H11 -2.4460 0.2698 -3.8165 H 1 noname 0.0323 35 H12 -1.0882 -1.2421 -5.2374 H 1 noname 0.0306 36 H13 -1.3438 2.5705 -3.3468 H 1 noname 0.0234 37 H14 -0.4641 2.3146 -4.8729 H 1 noname 0.0234 38 H15 -2.2424 2.3920 -4.8729 H 1 noname 0.0234 39 H16 -2.9911 -0.1432 -6.2217 H 1 noname 0.0270 40 H17 -1.8654 1.3007 -6.6824 H 1 noname 0.0270 41 H18 0.3607 1.2997 -6.0105 H 1 noname 0.0270 42 H19 1.0424 -0.1450 -5.0043 H 1 noname 0.0270 43 H20 -1.5971 -1.5487 -7.5755 H 1 noname 0.0283 44 H21 -2.2788 -0.1040 -8.5817 H 1 noname 0.0283 45 H22 1.7547 -0.1059 -7.3643 H 1 noname 0.0283 46 H23 0.6290 -1.5498 -6.9036 H 1 noname 0.0283 47 H24 -0.1247 0.9778 -8.4263 H 1 noname 0.0472 48 H25 0.1825 -2.5534 -8.4213 H 1 noname 0.0399 49 H26 -0.7080 -2.5092 -9.9618 H 1 noname 0.0399 50 H27 1.0719 -2.4916 -9.9618 H 1 noname 0.0399 51 H28 2.2727 -1.0464 -10.9105 H 1 noname 0.0324 52 H29 0.9461 -1.3161 -12.0663 H 1 noname 0.0324 53 H30 1.8258 0.2313 -12.0663 H 1 noname 0.0324 @BOND 1 2 1 1 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 5 7 1 7 5 6 1 8 7 8 2 9 7 9 1 10 9 10 1 11 9 11 1 12 11 12 1 13 11 13 1 14 12 14 1 15 12 15 1 16 14 16 1 17 15 17 1 18 16 18 1 19 17 18 1 20 18 19 1 21 19 20 1 22 19 21 1 23 20 22 2 24 20 23 1 25 2 24 1 26 3 25 1 27 3 26 1 28 4 27 1 29 4 28 1 30 6 29 1 31 6 30 1 32 9 31 1 33 10 32 1 34 10 33 1 35 11 34 1 36 12 35 1 37 13 36 1 38 13 37 1 39 13 38 1 40 14 39 1 41 14 40 1 42 15 41 1 43 15 42 1 44 16 43 1 45 16 44 1 46 17 45 1 47 17 46 1 48 18 47 1 49 21 48 1 50 21 49 1 51 21 50 1 52 23 51 1 53 23 52 1 54 23 53 1 @SUBSTRUCTURE 1 noname 1