@MOLECULE DB03244 31 31 1 SMALL USER_CHARGES @ATOM 1 O1 -1.6743 -2.4629 1.9185 O.2 1 noname -0.2476 2 C1 -0.7316 -2.0253 1.2240 C.2 1 noname 0.1467 3 O2 0.5224 -2.4844 1.4218 O.3 1 noname -0.2124 4 C2 -0.9990 -0.9694 0.1495 C.3 1 noname 0.1323 5 N1 -0.2523 0.1920 0.4357 N.3 1 noname 0.0299 6 C3 -0.6048 -1.4922 -1.1554 C.3 1 noname -0.0205 7 N2 1.0322 0.2490 0.5242 N.2 1 noname -0.2105 8 C4 -0.7637 1.4007 0.6567 C.2 1 noname -0.0130 9 C5 -0.8722 -0.4362 -2.2298 C.3 1 noname -0.0447 10 N3 1.3791 1.4579 0.7964 N.2 1 noname -0.1513 11 C6 0.3078 2.2449 0.8963 C.2 1 noname 0.0703 12 C7 -0.4591 -0.9841 -3.5973 C.3 1 noname -0.0627 13 C8 -2.3630 -0.0926 -2.2473 C.3 1 noname -0.0627 14 C9 0.2720 3.6743 1.1915 C.3 1 noname 0.0388 15 N4 1.0175 4.4025 0.1661 N.3 1 noname -0.3251 16 H1 0.6951 -2.5476 2.3641 H 1 noname 0.2213 17 H2 -2.0433 -0.6598 0.1082 H 1 noname 0.0636 18 H3 0.4734 -1.6440 -1.1042 H 1 noname 0.0294 19 H4 -1.2654 -2.3366 -1.3521 H 1 noname 0.0294 20 H5 -1.8258 1.6453 0.6442 H 1 noname 0.0830 21 H6 -0.2950 0.4615 -2.0086 H 1 noname 0.0298 22 H7 -0.4674 -2.0737 -3.5698 H 1 noname 0.0233 23 H8 -1.1597 -0.6344 -4.3556 H 1 noname 0.0233 24 H9 0.5442 -0.6344 -3.8409 H 1 noname 0.0233 25 H10 -2.7285 -0.0083 -1.2238 H 1 noname 0.0233 26 H11 -2.5114 0.8550 -2.7652 H 1 noname 0.0233 27 H12 -2.9113 -0.8795 -2.7652 H 1 noname 0.0233 28 H13 -0.7687 3.9869 1.1061 H 1 noname 0.0494 29 H14 0.8080 3.8148 2.1302 H 1 noname 0.0494 30 H15 1.8862 4.0283 -0.1880 H 1 noname 0.1187 31 H16 0.6638 5.2798 -0.1880 H 1 noname 0.1187 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 4 6 1 6 5 7 1 7 5 8 1 8 6 9 1 9 7 10 2 10 8 11 2 11 9 12 1 12 9 13 1 13 10 11 1 14 11 14 1 15 14 15 1 16 3 16 1 17 4 17 1 18 6 18 1 19 6 19 1 20 8 20 1 21 9 21 1 22 12 22 1 23 12 23 1 24 12 24 1 25 13 25 1 26 13 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 15 30 1 31 15 31 1 @SUBSTRUCTURE 1 noname 1