@MOLECULE DB03528 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 2.6912 -2.6135 1.1237 O.3 1 noname -0.3483 2 C1 1.7853 -1.6512 0.6115 C.3 1 noname 0.1590 3 C2 3.8370 -2.4069 0.3339 C.3 1 noname 0.1117 4 N1 0.5776 -1.6381 1.3771 N.3 1 noname 0.0257 5 C3 2.5977 -0.3575 0.5212 C.3 1 noname 0.1258 6 C4 3.9648 -0.8982 0.1122 C.3 1 noname 0.1126 7 C5 5.0702 -2.9190 1.0807 C.3 1 noname 0.0722 8 C6 -0.2140 -2.7168 1.5716 C.2 1 noname 0.1238 9 C7 0.0131 -0.6050 2.0730 C.2 1 noname -0.0362 10 O2 2.0790 0.4554 -0.5212 O.3 1 noname -0.3857 11 O3 4.9597 -0.3750 0.9799 O.3 1 noname -0.3873 12 O4 4.9214 -4.3062 1.3450 O.3 1 noname -0.3934 13 N2 -0.1354 -4.0007 1.1065 N.2 1 noname -0.2441 14 C8 -1.2286 -2.2876 2.4398 C.2 1 noname 0.0254 15 N3 -1.0928 -0.9980 2.7276 N.2 1 noname -0.2172 16 C9 -1.0708 -4.9180 1.5219 C.2 1 noname 0.0503 17 C10 -2.1797 -3.2341 2.8668 C.2 1 noname 0.0729 18 N4 -2.0527 -4.5066 2.3906 N.2 1 noname -0.2575 19 N5 -3.1690 -2.8991 3.7062 N.3 1 noname -0.1031 20 H1 1.3692 -1.9320 -0.3560 H 1 noname 0.0853 21 H2 3.6854 -2.9628 -0.5914 H 1 noname 0.0656 22 H3 2.5746 0.2968 1.3927 H 1 noname 0.0674 23 H4 4.2971 -0.6029 -0.8830 H 1 noname 0.0657 24 H5 5.9269 -2.8408 0.4113 H 1 noname 0.0591 25 H6 5.0969 -2.4379 2.0584 H 1 noname 0.0591 26 H7 0.3999 0.4136 2.1024 H 1 noname 0.1016 27 H8 1.7314 -0.1036 -1.2200 H 1 noname 0.2107 28 H9 4.6944 -0.5145 1.8919 H 1 noname 0.2106 29 H10 4.9058 -4.4513 2.2939 H 1 noname 0.2101 30 H11 -1.0347 -5.9491 1.1701 H 1 noname 0.1062 31 H12 -3.2612 -1.9443 4.0225 H 1 noname 0.1258 32 H13 -3.8224 -3.6012 4.0225 H 1 noname 0.1258 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 1 7 4 8 1 8 4 9 1 9 5 10 1 10 5 6 1 11 6 11 1 12 7 12 1 13 8 13 2 14 8 14 1 15 9 15 2 16 13 16 1 17 14 17 2 18 14 15 1 19 16 18 2 20 17 19 1 21 17 18 1 22 2 20 1 23 3 21 1 24 5 22 1 25 6 23 1 26 7 24 1 27 7 25 1 28 9 26 1 29 10 27 1 30 11 28 1 31 12 29 1 32 16 30 1 33 19 31 1 34 19 32 1 @SUBSTRUCTURE 1 noname 1