@MOLECULE FDBD03008 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0652 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0545 3 C2 0.7421 -0.5109 1.2415 C.3 1 UNK -0.0376 4 C3 0.7628 -2.0407 1.2331 C.3 1 UNK 0.0132 5 N 1.4714 -2.5260 2.4200 N.am 1 UNK -0.2968 6 C4 1.6145 -3.8504 2.6248 C.2 1 UNK 0.3215 7 O 1.1558 -4.6420 1.8250 O.2 1 UNK -0.2491 8 N1 2.2664 -4.2969 3.7167 N.ar 1 UNK -0.2341 9 C5 1.7027 -4.5919 4.9516 C.ar 1 UNK 0.0792 10 C6 0.4131 -4.5402 5.4560 C.ar 1 UNK -0.0355 11 C7 0.1716 -4.9097 6.7636 C.ar 1 UNK -0.0597 12 C8 1.2119 -5.3327 7.5771 C.ar 1 UNK -0.0596 13 C9 2.4994 -5.3900 7.0918 C.ar 1 UNK -0.0342 14 C10 2.7601 -5.0193 5.7704 C.ar 1 UNK 0.0914 15 N2 3.8944 -4.9691 5.0221 N.ar 1 UNK -0.2137 16 C11 3.6110 -4.5515 3.8164 C.ar 1 UNK 0.2134 17 N3 4.5302 -4.3831 2.7965 N.am 1 UNK -0.2207 18 C12 5.8324 -4.6564 3.0109 C.2 1 UNK 0.4065 19 O1 6.1990 -5.0508 4.1000 O.2 1 UNK -0.2260 20 O2 6.7269 -4.4925 2.0183 O.3 1 UNK -0.4534 21 C13 8.1120 -4.8062 2.3207 C.3 1 UNK 0.0833 22 H 1.0039 1.9031 0.0027 H 1 UNK 0.0230 23 H1 -0.5459 1.8868 -0.8726 H 1 UNK 0.0230 24 H2 -0.5289 1.8773 0.9072 H 1 UNK 0.0230 25 H3 -1.0205 -0.3814 0.0098 H 1 UNK 0.0263 26 H4 0.5123 -0.3556 -0.8948 H 1 UNK 0.0263 27 H5 1.7647 -0.1336 1.2338 H 1 UNK 0.0280 28 H6 0.2319 -0.1594 2.1383 H 1 UNK 0.0280 29 H7 -0.2598 -2.4180 1.2409 H 1 UNK 0.0462 30 H8 1.2730 -2.3923 0.3363 H 1 UNK 0.0462 31 H9 1.8375 -1.8942 3.0584 H 1 UNK 0.1504 32 H10 -0.4011 -4.2113 4.8274 H 1 UNK 0.0639 33 H11 -0.8338 -4.8687 7.1559 H 1 UNK 0.0618 34 H12 1.0110 -5.6191 8.5989 H 1 UNK 0.0618 35 H13 3.3051 -5.7201 7.7308 H 1 UNK 0.0639 36 H14 4.2375 -4.0682 1.9269 H 1 UNK 0.1610 37 H15 8.7255 -4.6311 1.4369 H 1 UNK 0.0661 38 H16 8.4589 -4.1707 3.1355 H 1 UNK 0.0661 39 H17 8.1914 -5.8522 2.6167 H 1 UNK 0.0661 @BOND 1 1 2 1 2 1 22 1 3 1 23 1 4 1 24 1 5 2 3 1 6 2 25 1 7 2 26 1 8 3 4 1 9 3 27 1 10 3 28 1 11 4 5 1 12 4 29 1 13 4 30 1 14 5 6 am 15 5 31 1 16 6 7 2 17 6 8 am 18 8 16 ar 19 8 9 ar 20 9 14 ar 21 9 10 ar 22 10 11 ar 23 10 32 1 24 11 12 ar 25 11 33 1 26 12 13 ar 27 12 34 1 28 13 14 ar 29 13 35 1 30 14 15 ar 31 15 16 ar 32 16 17 1 33 17 18 am 34 17 36 1 35 18 19 2 36 18 20 1 37 20 21 1 38 21 37 1 39 21 38 1 40 21 39 1