@MOLECULE DB02562 30 31 1 SMALL USER_CHARGES @ATOM 1 O1 -1.6821 -4.4223 -2.7513 O.2 1 noname -0.2434 2 C1 -0.5108 -4.5373 -2.3303 C.2 1 noname 0.1623 3 N1 0.4361 -5.1946 -3.0705 N.2 1 noname -0.1492 4 C2 -0.1448 -4.0031 -1.1070 C.2 1 noname 0.1105 5 C3 1.7039 -5.4418 -2.6071 C.2 1 noname -0.0736 6 N2 -0.9005 -3.1569 -0.4704 N.2 1 noname -0.2058 7 C4 1.1038 -4.3306 -0.6193 C.2 1 noname 0.0217 8 N3 1.9931 -5.0321 -1.3340 N.3 1 noname 0.0181 9 N4 2.6188 -6.0577 -3.3682 N.3 1 noname -0.1228 10 C5 -0.6024 -2.5343 0.7669 C.3 1 noname 0.0990 11 N5 1.4894 -3.8543 0.5151 N.2 1 noname -0.2364 12 C6 -1.7186 -2.8325 1.7699 C.3 1 noname 0.1038 13 C7 0.7654 -2.9795 1.3647 C.3 1 noname 0.0660 14 O2 -2.9496 -2.3298 1.2715 O.3 1 noname -0.3880 15 C8 -1.8304 -4.3448 1.9738 C.3 1 noname 0.0794 16 O3 -2.8664 -4.6216 2.9046 O.3 1 noname -0.3905 17 C9 -2.1524 -5.0171 0.6376 C.3 1 noname -0.0363 18 H1 2.8839 -5.2527 -0.9120 H 1 noname 0.1383 19 H2 2.4751 -7.0154 -3.6550 H 1 noname 0.1268 20 H3 3.4520 -5.5642 -3.6550 H 1 noname 0.1268 21 H4 -0.5665 -1.4816 0.4868 H 1 noname 0.0599 22 H5 -1.5536 -2.3146 2.7147 H 1 noname 0.0650 23 H6 1.3983 -2.0952 1.4388 H 1 noname 0.0538 24 H7 0.5601 -3.5786 2.2519 H 1 noname 0.0538 25 H8 -3.5210 -2.0964 2.0067 H 1 noname 0.2106 26 H9 -0.9231 -4.7548 2.4173 H 1 noname 0.0625 27 H10 -2.5267 -4.5308 3.7979 H 1 noname 0.2105 28 H11 -2.1230 -6.0999 0.7593 H 1 noname 0.0257 29 H12 -3.1469 -4.7152 0.3093 H 1 noname 0.0257 30 H13 -1.4165 -4.7152 -0.1076 H 1 noname 0.0257 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 4 6 2 6 4 7 1 7 5 8 1 8 5 9 1 9 10 6 1 10 7 11 2 11 7 8 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 8 18 1 20 9 19 1 21 9 20 1 22 10 21 1 23 12 22 1 24 13 23 1 25 13 24 1 26 14 25 1 27 15 26 1 28 16 27 1 29 17 28 1 30 17 29 1 31 17 30 1 @SUBSTRUCTURE 1 noname 1