@MOLECULE FDBD01898 29 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.6575 -0.7923 2.2784 C.3 1 UNK 0.0032 2 N 0.8220 -1.1231 1.1215 N.am 1 UNK -0.2839 3 C1 1.3715 -1.7071 0.0382 C.2 1 UNK 0.4054 4 O 2.5601 -1.9593 0.0213 O.2 1 UNK -0.2260 5 O1 0.6033 -2.0111 -1.0254 O.3 1 UNK -0.4111 6 C2 1.2343 -2.5181 -2.1176 C.ar 1 UNK 0.1412 7 C3 1.6394 -1.6730 -3.1406 C.ar 1 UNK -0.0187 8 C4 2.2802 -2.1905 -4.2494 C.ar 1 UNK -0.0583 9 C5 2.5177 -3.5498 -4.3404 C.ar 1 UNK -0.0611 10 C6 2.1146 -4.3940 -3.3226 C.ar 1 UNK -0.0503 11 C7 1.4791 -3.8803 -2.2084 C.ar 1 UNK 0.0502 12 C8 1.0399 -4.8011 -1.0992 C.3 1 UNK 0.1889 13 O2 -0.3798 -5.0473 -1.1911 O.3 1 UNK -0.3448 14 C9 -0.5498 -6.2852 -0.4588 C.3 1 UNK 0.0744 15 C10 0.7269 -7.0766 -0.8185 C.3 1 UNK 0.0744 16 O3 1.6783 -6.0820 -1.2380 O.3 1 UNK -0.3448 17 H 2.1107 -1.7024 2.6714 H 1 UNK 0.0427 18 H1 2.4411 -0.0984 1.9742 H 1 UNK 0.0427 19 H2 1.0425 -0.3300 3.0505 H 1 UNK 0.0427 20 H3 -0.1268 -0.9217 1.1350 H 1 UNK 0.1517 21 H4 1.4535 -0.6114 -3.0703 H 1 UNK 0.0654 22 H5 2.5958 -1.5331 -5.0460 H 1 UNK 0.0619 23 H6 3.0186 -3.9526 -5.2083 H 1 UNK 0.0618 24 H7 2.3006 -5.4553 -3.3963 H 1 UNK 0.0623 25 H8 1.2836 -4.3638 -0.1310 H 1 UNK 0.0966 26 H9 -0.5969 -6.0957 0.6136 H 1 UNK 0.0584 27 H10 -1.4402 -6.8148 -0.7975 H 1 UNK 0.0584 28 H11 1.0992 -7.6119 0.0550 H 1 UNK 0.0584 29 H12 0.5239 -7.7731 -1.6320 H 1 UNK 0.0584 @BOND 1 1 2 1 2 1 17 1 3 1 18 1 4 1 19 1 5 2 3 am 6 2 20 1 7 3 4 2 8 3 5 1 9 5 6 1 10 6 11 ar 11 6 7 ar 12 7 8 ar 13 7 21 1 14 8 9 ar 15 8 22 1 16 9 10 ar 17 9 23 1 18 10 11 ar 19 10 24 1 20 11 12 1 21 12 16 1 22 12 13 1 23 12 25 1 24 13 14 1 25 14 15 1 26 14 26 1 27 14 27 1 28 15 16 1 29 15 28 1 30 15 29 1