@MOLECULE DB03479 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 2.4753 -0.3639 1.4185 O.2 1 noname -0.2672 2 C1 1.7217 -0.5280 0.4347 C.2 1 noname 0.1130 3 N1 1.8995 -1.3730 -0.6764 N.3 1 noname 0.0843 4 C2 0.3711 0.1431 0.1387 C.3 1 noname 0.2665 5 C3 1.0532 -1.0731 -1.6236 C.2 1 noname 0.0019 6 C4 2.8600 -2.4023 -0.7555 C.3 1 noname 0.0029 7 O2 -0.6407 -0.5603 0.9162 O.3 1 noname -0.3353 8 N2 0.2152 -0.2168 -1.1857 N.2 1 noname -0.1841 9 C5 0.3740 1.7065 0.1720 C.3 1 noname 0.1411 10 O3 1.0629 -1.5770 -2.8436 O.3 1 noname -0.2488 11 C6 -1.1307 0.0483 2.1323 C.3 1 noname 0.1127 12 O4 1.3709 2.1588 1.0765 O.3 1 noname -0.3845 13 C7 -1.0048 2.2166 0.6307 C.3 1 noname 0.1138 14 C8 -1.5635 1.5286 1.9175 C.3 1 noname 0.1112 15 C9 -2.3175 -0.7580 2.6638 C.3 1 noname 0.0722 16 O5 -1.9397 2.0706 -0.4281 O.3 1 noname -0.3873 17 O6 -1.2067 2.2962 3.0576 O.3 1 noname -0.3874 18 O7 -1.9024 -2.0887 2.9344 O.3 1 noname -0.3934 19 H1 3.1468 -2.7097 0.2502 H 1 noname 0.0404 20 H2 2.4371 -3.2536 -1.2889 H 1 noname 0.0404 21 H3 3.7385 -2.0392 -1.2889 H 1 noname 0.0404 22 H4 0.6518 2.1406 -0.7884 H 1 noname 0.0686 23 H5 1.0625 -2.5357 -2.7939 H 1 noname 0.2209 24 H6 -0.2790 -0.0011 2.8106 H 1 noname 0.0657 25 H7 1.0706 2.0226 1.9780 H 1 noname 0.2108 26 H8 -0.9133 3.2871 0.8144 H 1 noname 0.0658 27 H9 -2.6519 1.5485 1.8625 H 1 noname 0.0657 28 H10 -2.6039 -0.3407 3.6292 H 1 noname 0.0591 29 H11 -3.0547 -0.8401 1.8652 H 1 noname 0.0591 30 H12 -2.0888 1.1374 -0.5969 H 1 noname 0.2106 31 H13 -0.9802 1.7078 3.7815 H 1 noname 0.2106 32 H14 -1.8602 -2.2240 3.8839 H 1 noname 0.2101 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 1 8 4 9 1 9 5 10 1 10 5 8 2 11 7 11 1 12 9 12 1 13 9 13 1 14 11 14 1 15 11 15 1 16 13 16 1 17 13 14 1 18 14 17 1 19 15 18 1 20 6 19 1 21 6 20 1 22 6 21 1 23 9 22 1 24 10 23 1 25 11 24 1 26 12 25 1 27 13 26 1 28 14 27 1 29 15 28 1 30 15 29 1 31 16 30 1 32 17 31 1 33 18 32 1 @SUBSTRUCTURE 1 noname 1