@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3802 27 29 1 SMALL USER_CHARGES @ATOM 1 O1 3.1786 1.0301 -3.4366 O.2 1 noname -0.1433 2 N1 2.3055 1.1001 -2.6106 N.2 1 noname -0.0129 3 O2 1.3765 0.3641 -2.8105 O.3 1 noname -0.1433 4 C1 2.3185 2.0362 -1.6015 C.2 1 noname 0.0305 5 C2 1.3564 2.0882 -0.5425 C.2 1 noname 0.0585 6 C3 3.2924 3.0622 -1.6875 C.2 1 noname 0.0241 7 N2 0.5014 1.0483 -0.2194 N.3 1 noname -0.0164 8 C4 1.3494 3.2263 0.3015 C.2 1 noname -0.0298 9 C5 3.2814 4.1613 -0.8184 C.2 1 noname -0.0598 10 C6 -0.7596 1.0903 0.2745 C.2 1 noname -0.0469 11 C7 0.8204 -0.2686 -0.2414 C.2 1 noname -0.0316 12 C8 2.2934 4.2533 0.1655 C.2 1 noname -0.0272 13 C9 -1.1626 -0.2196 0.5326 C.2 1 noname 0.0114 14 C10 -1.6596 2.1534 0.4936 C.2 1 noname -0.0303 15 N3 -0.1706 -1.0556 0.2116 N.2 1 noname -0.2286 16 C11 -2.4337 -0.5185 1.0446 C.2 1 noname -0.0105 17 C12 -2.9417 1.8724 1.0076 C.2 1 noname -0.0469 18 C13 -3.3258 0.5444 1.2867 C.2 1 noname -0.0439 19 H1 3.9994 3.0353 -2.4235 H 1 noname 0.0647 20 H2 0.6923 3.2883 1.0776 H 1 noname 0.0643 21 H3 3.9824 4.8974 -0.9124 H 1 noname 0.0623 22 H4 1.7263 -0.6376 -0.5353 H 1 noname 0.1019 23 H5 2.2763 5.0524 0.8006 H 1 noname 0.0623 24 H6 -1.4027 3.1144 0.2746 H 1 noname 0.0643 25 H7 -2.7078 -1.4835 1.2337 H 1 noname 0.0645 26 H8 -3.5997 2.6345 1.1747 H 1 noname 0.0623 27 H9 -4.2558 0.3514 1.6567 H 1 noname 0.0623 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 5 7 1 7 5 8 1 8 6 9 2 9 6 19 1 10 7 10 1 11 7 11 1 12 8 12 2 13 8 20 1 14 9 12 1 15 9 21 1 16 10 13 2 17 10 14 1 18 11 15 2 19 11 22 1 20 12 23 1 21 13 16 1 22 13 15 1 23 14 17 2 24 14 24 1 25 16 18 2 26 16 25 1 27 17 18 1 28 17 26 1 29 18 27 1 @SUBSTRUCTURE 1 noname 1