@MOLECULE FDBD02028 48 50 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6261 1.2268 0.1461 C.3 1 UNK -0.0632 2 C1 -0.6824 -0.3013 0.0931 C.3 1 UNK -0.0322 3 C2 0.1556 -0.8019 -1.0850 C.3 1 UNK 0.0518 4 O 0.1031 -2.2291 -1.1345 O.3 1 UNK -0.3397 5 C3 0.8570 -2.8017 -2.2048 C.3 1 UNK 0.1939 6 C4 0.9051 -4.3279 -2.0490 C.3 1 UNK 0.0205 7 C5 1.5787 -4.9476 -3.2744 C.3 1 UNK 0.0169 8 C6 1.5834 -6.4711 -3.1339 C.3 1 UNK -0.0563 9 C7 0.8340 -4.5638 -4.5289 C.2 1 UNK 0.1903 10 C8 0.2048 -3.3815 -4.5692 C.2 1 UNK 0.2888 11 N -0.5074 -2.8709 -5.6378 N.pl3 1 UNK -0.2159 12 C9 -1.0170 -1.5387 -5.2865 C.3 1 UNK 0.1165 13 C10 -0.5327 -1.2942 -3.8463 C.3 1 UNK 0.1186 14 N1 0.2061 -2.5038 -3.4874 N.pl3 1 UNK -0.1937 15 C11 -0.7205 -3.5504 -6.9181 C.3 1 UNK 0.1072 16 C12 -2.1544 -4.0042 -7.0134 C.ar 1 UNK 0.0100 17 C13 -2.5553 -5.1932 -6.4220 C.ar 1 UNK -0.0507 18 C14 -3.8836 -5.5711 -6.5344 C.ar 1 UNK -0.0244 19 C15 -4.7602 -4.7552 -7.2283 C.ar 1 UNK 0.1292 20 Cl -6.4272 -5.2164 -7.3769 Cl 1 UNK -0.0620 21 N2 -4.3430 -3.6304 -7.7777 N.ar 1 UNK -0.2432 22 C16 -3.0869 -3.2382 -7.6859 C.ar 1 UNK 0.0360 23 N3 0.7995 -5.4765 -5.6945 N.pl3 1 UNK 0.0602 24 O1 1.6053 -5.3415 -6.5978 O.2 1 UNK -0.1262 25 O2 -0.0348 -6.3622 -5.7499 O.2 1 UNK -0.1262 26 H -1.2122 1.5769 0.9700 H 1 UNK 0.0230 27 H1 -1.0155 1.6299 -0.7654 H 1 UNK 0.0230 28 H2 0.3887 1.5422 0.2707 H 1 UNK 0.0230 29 H3 -1.6972 -0.6167 -0.0315 H 1 UNK 0.0285 30 H4 -0.2930 -0.7044 1.0046 H 1 UNK 0.0285 31 H5 1.1704 -0.4864 -0.9604 H 1 UNK 0.0561 32 H6 -0.2338 -0.3988 -1.9965 H 1 UNK 0.0561 33 H7 1.8447 -2.3908 -2.1810 H 1 UNK 0.1089 34 H8 -0.0910 -4.7083 -1.9597 H 1 UNK 0.0336 35 H9 1.4641 -4.5781 -1.1716 H 1 UNK 0.0336 36 H10 2.5832 -4.5849 -3.3406 H 1 UNK 0.0367 37 H11 0.5762 -6.8263 -3.0683 H 1 UNK 0.0236 38 H12 2.1170 -6.7459 -2.2481 H 1 UNK 0.0236 39 H13 2.0603 -6.9065 -3.9871 H 1 UNK 0.0236 40 H14 -2.0859 -1.5209 -5.3320 H 1 UNK 0.0764 41 H15 -0.6691 -0.7845 -5.9611 H 1 UNK 0.0764 42 H16 -1.3645 -1.1520 -3.1884 H 1 UNK 0.0765 43 H17 0.0720 -0.4149 -3.7685 H 1 UNK 0.0765 44 H18 -0.0726 -4.3994 -6.9835 H 1 UNK 0.0778 45 H19 -0.5059 -2.8754 -7.7202 H 1 UNK 0.0778 46 H20 -1.8801 -5.7825 -5.9103 H 1 UNK 0.0623 47 H21 -4.2151 -6.4496 -6.1062 H 1 UNK 0.0648 48 H22 -2.7973 -2.3486 -8.1216 H 1 UNK 0.0834 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 14 1 6 5 6 1 7 6 7 1 8 7 8 1 9 7 9 1 10 9 10 2 11 9 23 1 12 10 14 1 13 10 11 1 14 11 12 1 15 11 15 1 16 12 13 1 17 13 14 1 18 15 16 1 19 16 22 ar 20 16 17 ar 21 17 18 ar 22 18 19 ar 23 19 20 1 24 19 21 ar 25 21 22 ar 26 23 24 2 27 23 25 2 28 1 26 1 29 1 27 1 30 1 28 1 31 2 29 1 32 2 30 1 33 3 31 1 34 3 32 1 35 5 33 1 36 6 34 1 37 6 35 1 38 7 36 1 39 8 37 1 40 8 38 1 41 8 39 1 42 12 40 1 43 12 41 1 44 13 42 1 45 13 43 1 46 15 44 1 47 15 45 1 48 17 46 1 49 18 47 1 50 22 48 1