@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3834 28 30 1 SMALL USER_CHARGES @ATOM 1 N1 -0.0871 -1.0463 0.5230 N.2 1 noname -0.2392 2 C1 -1.1382 -0.2232 0.6001 C.2 1 noname 0.0062 3 C2 0.9338 -0.3013 0.0581 C.2 1 noname -0.0312 4 C3 -0.7552 1.0437 0.1691 C.2 1 noname -0.0599 5 C4 -2.4483 -0.4892 1.0281 C.2 1 noname -0.0108 6 N2 0.5497 0.9808 -0.1678 N.3 1 noname -0.0227 7 C5 2.2608 -0.8732 -0.1978 C.3 1 noname 0.0450 8 C6 -1.6813 2.1048 0.1621 C.2 1 noname -0.0338 9 C7 -3.3834 0.5648 1.0171 C.2 1 noname -0.0439 10 C8 1.3227 1.9969 -0.6588 C.2 1 noname -0.0234 11 C9 -3.0014 1.8538 0.5882 C.2 1 noname -0.0472 12 C10 2.5487 2.3349 -0.0437 C.2 1 noname -0.0548 13 C11 0.9086 2.7319 -1.7908 C.2 1 noname -0.0548 14 C12 3.3417 3.3790 -0.5497 C.2 1 noname -0.0618 15 C13 1.7006 3.7770 -2.2978 C.2 1 noname -0.0618 16 C14 2.9176 4.1000 -1.6777 C.2 1 noname -0.0851 17 H1 -2.7164 -1.4232 1.3392 H 1 noname 0.0645 18 H2 2.2418 -1.9472 -0.0087 H 1 noname 0.0309 19 H3 2.5378 -0.6992 -1.2378 H 1 noname 0.0309 20 H4 2.9988 -0.4142 0.4582 H 1 noname 0.0309 21 H5 -1.4064 3.0389 -0.1407 H 1 noname 0.0643 22 H6 -4.3415 0.3958 1.3242 H 1 noname 0.0623 23 H7 -3.6855 2.6109 0.5882 H 1 noname 0.0623 24 H8 2.8617 1.8279 0.7842 H 1 noname 0.0642 25 H9 0.0295 2.5020 -2.2558 H 1 noname 0.0642 26 H10 4.2247 3.6140 -0.0957 H 1 noname 0.0623 27 H11 1.3905 4.2991 -3.1188 H 1 noname 0.0623 28 H12 3.4936 4.8581 -2.0457 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 2 3 2 4 2 4 2 5 1 5 3 6 1 6 3 7 1 7 4 8 1 8 4 6 1 9 5 9 2 10 5 17 1 11 6 10 1 12 7 18 1 13 7 19 1 14 7 20 1 15 8 11 2 16 8 21 1 17 9 11 1 18 9 22 1 19 10 12 2 20 10 13 1 21 11 23 1 22 12 14 1 23 12 24 1 24 13 15 2 25 13 25 1 26 14 16 2 27 14 26 1 28 15 16 1 29 15 27 1 30 16 28 1 @SUBSTRUCTURE 1 noname 1