@MOLECULE FDBD02209 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0493 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0120 3 N 0.7106 -0.4894 1.1889 N.pl3 1 UNK -0.3001 4 C2 -0.0276 -0.7504 2.4271 C.3 1 UNK 0.0120 5 C3 -0.5106 -2.2021 2.4365 C.3 1 UNK -0.0493 6 C4 2.0774 -0.7013 1.1404 C.ar 1 UNK 0.2211 7 N1 2.7011 -1.1455 2.2217 N.ar 1 UNK -0.2194 8 C5 4.0080 -1.3599 2.2128 C.ar 1 UNK 0.0469 9 C6 4.7054 -1.8658 3.4492 C.3 1 UNK -0.0221 10 C7 4.7252 -1.1149 1.0566 C.ar 1 UNK 0.0215 11 C8 4.0409 -0.6480 -0.0645 C.ar 1 UNK 0.2283 12 N2 2.7289 -0.4600 0.0126 N.ar 1 UNK -0.1790 13 O 4.7047 -0.3944 -1.2183 O.3 1 UNK -0.3946 14 P 4.7957 -1.6574 -2.2127 P.3 1 UNK 0.4623 15 O1 5.1656 -2.8659 -1.4426 O.2 1 UNK -0.2281 16 N3 3.3029 -1.8982 -2.9517 N.3 1 UNK -0.2150 17 C9 2.9025 -0.7164 -3.7269 C.3 1 UNK -0.0044 18 O2 5.9122 -1.3753 -3.3377 O.3 1 UNK -0.2903 19 C10 6.3782 -2.3799 -4.2409 C.3 1 UNK 0.0479 20 H -0.5362 1.8802 -0.8565 H 1 UNK 0.0245 21 H1 0.9851 1.8962 0.0029 H 1 UNK 0.0245 22 H2 -0.5196 1.8709 0.8907 H 1 UNK 0.0245 23 H3 0.5030 -0.3492 -0.8783 H 1 UNK 0.0462 24 H4 -1.0017 -0.3745 0.0096 H 1 UNK 0.0462 25 H5 -0.8704 -0.0937 2.4851 H 1 UNK 0.0462 26 H6 0.6138 -0.5825 3.2669 H 1 UNK 0.0462 27 H7 -1.1520 -2.3700 1.5967 H 1 UNK 0.0245 28 H8 -1.0498 -2.3927 3.3408 H 1 UNK 0.0245 29 H9 0.3322 -2.8588 2.3785 H 1 UNK 0.0245 30 H10 3.9903 -1.9943 4.2347 H 1 UNK 0.0293 31 H11 5.4476 -1.1582 3.7548 H 1 UNK 0.0293 32 H12 5.1735 -2.8041 3.2360 H 1 UNK 0.0293 33 H13 5.7443 -1.2741 1.0242 H 1 UNK 0.0689 34 H14 2.6010 -2.0800 -2.2343 H 1 UNK 0.1343 35 H15 3.6350 -0.5200 -4.4817 H 1 UNK 0.0394 36 H16 2.8266 0.1288 -3.0751 H 1 UNK 0.0394 37 H17 1.9543 -0.8971 -4.1885 H 1 UNK 0.0394 38 H18 7.1151 -1.9593 -4.8928 H 1 UNK 0.0529 39 H19 5.5571 -2.7471 -4.8205 H 1 UNK 0.0529 40 H20 6.8113 -3.1855 -3.6857 H 1 UNK 0.0529 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 6 1 5 4 5 1 6 6 12 ar 7 6 7 ar 8 7 8 ar 9 8 9 1 10 8 10 ar 11 10 11 ar 12 11 12 ar 13 11 13 1 14 13 14 1 15 14 15 2 16 14 16 1 17 14 18 1 18 16 17 1 19 18 19 1 20 1 20 1 21 1 21 1 22 1 22 1 23 2 23 1 24 2 24 1 25 4 25 1 26 4 26 1 27 5 27 1 28 5 28 1 29 5 29 1 30 9 30 1 31 9 31 1 32 9 32 1 33 10 33 1 34 16 34 1 35 17 35 1 36 17 36 1 37 17 37 1 38 19 38 1 39 19 39 1 40 19 40 1