@MOLECULE DB03918 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 0.4297 -0.3210 2.6503 O.3 1 noname -0.2515 2 C1 -0.6131 0.1631 1.9426 C.2 1 noname 0.0376 3 N1 -1.2818 1.2762 2.3783 N.2 1 noname -0.1692 4 C2 -1.0200 -0.4789 0.7454 C.2 1 noname -0.0439 5 C3 -2.3398 1.8307 1.7117 C.2 1 noname 0.0140 6 N2 -0.4083 -1.5801 0.2174 N.3 1 noname -0.1208 7 C4 -2.1526 0.0813 0.1018 C.2 1 noname -0.1157 8 N3 -2.9217 2.9126 2.1518 N.2 1 noname -0.2283 9 N4 -2.7665 1.2150 0.5712 N.3 1 noname 0.0118 10 C5 -0.7352 -2.1629 -1.0652 C.3 1 noname 0.0529 11 N5 -2.6517 -0.5531 -0.9962 N.3 1 noname -0.1387 12 C6 -0.7013 -3.6886 -0.9556 C.3 1 noname 0.0965 13 C7 -2.1081 -1.7150 -1.6424 C.3 1 noname 0.0193 14 O2 0.5980 -4.1062 -0.5632 O.3 1 noname -0.3886 15 C8 -1.0471 -4.3051 -2.3125 C.3 1 noname 0.0788 16 O3 -1.0156 -5.7211 -2.2108 O.3 1 noname -0.3905 17 C9 -0.0269 -3.8460 -3.3562 C.3 1 noname -0.0363 18 H1 0.2465 -0.2360 3.5888 H 1 noname 0.2199 19 H2 0.3147 -1.9795 0.7986 H 1 noname 0.1288 20 H3 -2.9197 2.9089 3.1618 H 1 noname 0.1904 21 H4 -3.5496 1.6048 0.0663 H 1 noname 0.1383 22 H5 0.0582 -1.7748 -1.7040 H 1 noname 0.0509 23 H6 -3.4923 -0.1278 -1.3605 H 1 noname 0.1292 24 H7 -1.3708 -4.0465 -0.1735 H 1 noname 0.0644 25 H8 -1.9407 -1.3984 -2.6718 H 1 noname 0.0449 26 H9 -2.8261 -2.5058 -1.4253 H 1 noname 0.0449 27 H10 0.6527 -4.1238 0.3950 H 1 noname 0.2106 28 H11 -2.0646 -4.0574 -2.6146 H 1 noname 0.0625 29 H12 -1.0099 -5.9754 -1.2851 H 1 noname 0.2105 30 H13 0.8546 -3.4492 -2.8526 H 1 noname 0.0257 31 H14 0.2610 -4.6924 -3.9798 H 1 noname 0.0257 32 H15 -0.4695 -3.0692 -3.9798 H 1 noname 0.0257 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 1 6 4 7 2 7 5 8 2 8 5 9 1 9 10 6 1 10 7 11 1 11 7 9 1 12 10 12 1 13 10 13 1 14 11 13 1 15 12 14 1 16 12 15 1 17 15 16 1 18 15 17 1 19 1 18 1 20 6 19 1 21 8 20 1 22 9 21 1 23 10 22 1 24 11 23 1 25 12 24 1 26 13 25 1 27 13 26 1 28 14 27 1 29 15 28 1 30 16 29 1 31 17 30 1 32 17 31 1 33 17 32 1 @SUBSTRUCTURE 1 noname 1