@MOLECULE DB03609 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 2.6912 -2.6135 1.1237 O.3 1 noname -0.3512 2 C1 1.7853 -1.6512 0.6115 C.3 1 noname 0.1550 3 C2 3.8370 -2.4069 0.3339 C.3 1 noname 0.0858 4 N1 0.5776 -1.6381 1.3771 N.3 1 noname -0.0064 5 C3 2.5977 -0.3575 0.5212 C.3 1 noname 0.0999 6 C4 3.9648 -0.8982 0.1122 C.3 1 noname 0.0061 7 C5 5.0702 -2.9190 1.0807 C.3 1 noname 0.0696 8 C6 -0.2140 -2.7168 1.5716 C.2 1 noname -0.0115 9 C7 0.0131 -0.6050 2.0730 C.2 1 noname -0.0358 10 O2 2.0790 0.4554 -0.5212 O.3 1 noname -0.3884 11 O3 4.9214 -4.3062 1.3450 O.3 1 noname -0.3935 12 N2 -0.1354 -4.0007 1.1065 N.3 1 noname 0.0929 13 C8 -1.2286 -2.2876 2.4398 C.2 1 noname 0.0554 14 N3 -1.0928 -0.9980 2.7276 N.2 1 noname -0.2138 15 C9 -1.0708 -4.9180 1.5219 C.2 1 noname 0.0423 16 C10 -2.1797 -3.2341 2.8668 C.2 1 noname 0.0561 17 N4 -2.0527 -4.5066 2.3906 N.2 1 noname -0.1701 18 N5 -1.0273 -6.1524 1.1006 N.2 1 noname -0.2387 19 O4 -3.1764 -2.8966 3.7124 O.3 1 noname -0.2485 20 H1 1.3692 -1.9320 -0.3560 H 1 noname 0.0851 21 H2 3.6854 -2.9628 -0.5914 H 1 noname 0.0629 22 H3 2.5746 0.2968 1.3927 H 1 noname 0.0646 23 H4 4.7026 -0.5148 0.8171 H 1 noname 0.0322 24 H5 4.0896 -0.7233 -0.9564 H 1 noname 0.0322 25 H6 5.9269 -2.8408 0.4113 H 1 noname 0.0590 26 H7 5.0969 -2.4379 2.0584 H 1 noname 0.0590 27 H8 0.3999 0.4136 2.1024 H 1 noname 0.1016 28 H9 1.7314 -0.1036 -1.2200 H 1 noname 0.2106 29 H10 4.9058 -4.4513 2.2939 H 1 noname 0.2101 30 H11 0.6003 -4.2666 0.4676 H 1 noname 0.0682 31 H12 -1.0053 -6.7781 1.8931 H 1 noname 0.1893 32 H13 -2.8756 -2.9984 4.6184 H 1 noname 0.2199 @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 7 11 1 12 8 12 1 13 8 13 2 14 9 14 2 15 12 15 1 16 13 16 1 17 13 14 1 18 15 17 1 19 15 18 2 20 16 19 1 21 16 17 2 22 2 20 1 23 3 21 1 24 5 22 1 25 6 23 1 26 6 24 1 27 7 25 1 28 7 26 1 29 9 27 1 30 10 28 1 31 11 29 1 32 12 30 1 33 18 31 1 34 19 32 1 @SUBSTRUCTURE 1 noname 1