@MOLECULE DB02385 29 30 1 SMALL USER_CHARGES @ATOM 1 O1 -0.9663 1.9187 3.1517 O.2 1 noname -0.2748 2 C1 -1.5576 2.3082 2.1215 C.2 1 noname 0.0916 3 N1 -1.7032 3.6492 1.8686 N.3 1 noname 0.0513 4 C2 -2.0853 1.3726 1.2014 C.2 1 noname 0.1167 5 C3 -2.3388 4.1456 0.7637 C.2 1 noname -0.0737 6 N2 -2.0162 0.0087 1.3362 N.2 1 noname -0.1763 7 C4 -2.7464 1.9104 0.0522 C.2 1 noname 0.1246 8 N3 -2.8581 3.2628 -0.1450 N.2 1 noname -0.1798 9 N4 -2.4508 5.4675 0.5747 N.3 1 noname -0.1230 10 C5 -2.5571 -0.8774 0.4350 C.2 1 noname 0.0586 11 N5 -3.2735 1.0091 -0.8375 N.2 1 noname -0.1836 12 C6 -3.2190 -0.3516 -0.6970 C.2 1 noname 0.0616 13 C7 -2.4506 -2.3188 0.6416 C.3 1 noname 0.1256 14 O2 -3.0783 -2.6691 1.8663 O.3 1 noname -0.3838 15 C8 -3.1387 -3.0515 -0.5119 C.3 1 noname 0.1087 16 O3 -3.0352 -4.4534 -0.3110 O.3 1 noname -0.3875 17 C9 -2.4625 -2.6741 -1.8315 C.3 1 noname 0.0721 18 O4 -3.1011 -3.3541 -2.9021 O.3 1 noname -0.3934 19 H1 -1.3213 4.3075 2.5326 H 1 noname 0.1400 20 H2 -1.6215 6.0395 0.5035 H 1 noname 0.1268 21 H3 -3.3646 5.8918 0.5035 H 1 noname 0.1268 22 H4 -3.6816 -0.9874 -1.4519 H 1 noname 0.0860 23 H5 -1.3982 -2.5840 0.7418 H 1 noname 0.0697 24 H6 -3.1179 -3.6251 1.9435 H 1 noname 0.2111 25 H7 -4.2075 -2.8390 -0.5374 H 1 noname 0.0656 26 H8 -3.0213 -4.6416 0.6302 H 1 noname 0.2106 27 H9 -2.6421 -1.6142 -2.0119 H 1 noname 0.0591 28 H10 -1.4426 -3.0581 -1.8102 H 1 noname 0.0591 29 H11 -3.0229 -4.3019 -2.7711 H 1 noname 0.2101 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 2 6 4 7 1 7 5 8 2 8 5 9 1 9 6 10 1 10 7 11 2 11 7 8 1 12 10 12 2 13 10 13 1 14 11 12 1 15 13 14 1 16 13 15 1 17 15 16 1 18 15 17 1 19 17 18 1 20 3 19 1 21 9 20 1 22 9 21 1 23 12 22 1 24 13 23 1 25 14 24 1 26 15 25 1 27 16 26 1 28 17 27 1 29 17 28 1 30 18 29 1 @SUBSTRUCTURE 1 noname 1