@MOLECULE FDBD01903 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.3221 1.7534 -0.0085 C.3 1 UNK -0.0585 2 C1 0.1815 0.2305 0.0343 C.3 1 UNK -0.0180 3 C2 -1.3000 -0.1428 0.1167 C.3 1 UNK -0.0585 4 C3 0.7808 -0.3646 -1.2138 C.ar 1 UNK -0.0024 5 C4 0.2839 -0.0140 -2.4544 C.ar 1 UNK -0.0548 6 C5 0.8330 -0.5599 -3.5997 C.ar 1 UNK -0.0613 7 C6 1.8804 -1.4580 -3.5068 C.ar 1 UNK -0.0583 8 C7 2.3806 -1.8118 -2.2689 C.ar 1 UNK -0.0189 9 C8 1.8354 -1.2605 -1.1183 C.ar 1 UNK 0.1366 10 O 2.3259 -1.6070 0.1012 O.3 1 UNK -0.4113 11 C9 1.7094 -2.6174 0.7436 C.2 1 UNK 0.4054 12 O1 0.7146 -3.1248 0.2646 O.2 1 UNK -0.2260 13 N 2.1958 -3.0658 1.9179 N.am 1 UNK -0.2839 14 C10 1.5251 -4.1649 2.6167 C.3 1 UNK 0.0032 15 H 1.3775 2.0193 -0.0672 H 1 UNK 0.0235 16 H1 -0.1997 2.1420 -0.8831 H 1 UNK 0.0235 17 H2 -0.1114 2.1838 0.8942 H 1 UNK 0.0235 18 H3 0.7032 -0.1581 0.9089 H 1 UNK 0.0345 19 H4 -1.8218 0.2458 -0.7579 H 1 UNK 0.0235 20 H5 -1.4002 -1.2277 0.1472 H 1 UNK 0.0235 21 H6 -1.7335 0.2877 1.0194 H 1 UNK 0.0235 22 H7 -0.5343 0.6870 -2.5295 H 1 UNK 0.0622 23 H8 0.4430 -0.2849 -4.5685 H 1 UNK 0.0618 24 H9 2.3074 -1.8835 -4.4029 H 1 UNK 0.0619 25 H10 3.1982 -2.5138 -2.1968 H 1 UNK 0.0654 26 H11 2.9899 -2.6608 2.3003 H 1 UNK 0.1517 27 H12 0.5002 -3.8759 2.8494 H 1 UNK 0.0427 28 H13 1.5175 -5.0495 1.9799 H 1 UNK 0.0427 29 H14 2.0586 -4.3872 3.5409 H 1 UNK 0.0427 @BOND 1 1 2 1 2 1 15 1 3 1 16 1 4 1 17 1 5 2 3 1 6 2 4 1 7 2 18 1 8 3 19 1 9 3 20 1 10 3 21 1 11 4 9 ar 12 4 5 ar 13 5 6 ar 14 5 22 1 15 6 7 ar 16 6 23 1 17 7 8 ar 18 7 24 1 19 8 9 ar 20 8 25 1 21 9 10 1 22 10 11 1 23 11 12 2 24 11 13 am 25 13 14 1 26 13 26 1 27 14 27 1 28 14 28 1 29 14 29 1