@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3795 28 30 1 SMALL USER_CHARGES @ATOM 1 N1 0.0000 -1.0467 0.4360 N.2 1 noname -0.2287 2 C1 -1.0411 -0.2116 0.5371 C.2 1 noname 0.0113 3 C2 1.0429 -0.2796 0.0660 C.2 1 noname -0.0321 4 C3 -0.6231 1.0794 0.2221 C.2 1 noname -0.0473 5 C4 -2.3721 -0.4836 0.8911 C.2 1 noname -0.0105 6 N2 0.6909 1.0184 -0.0668 N.3 1 noname -0.0174 7 C5 -1.5302 2.1554 0.2601 C.2 1 noname -0.0304 8 C6 -3.2882 0.5864 0.9251 C.2 1 noname -0.0439 9 C7 1.5139 2.0414 -0.4498 C.2 1 noname -0.0301 10 C8 -2.8703 1.8975 0.6121 C.2 1 noname -0.0469 11 C9 2.6829 2.3805 0.2792 C.2 1 noname -0.0528 12 C10 1.1819 2.7875 -1.6008 C.2 1 noname -0.0568 13 C11 3.4909 3.4506 -0.1597 C.2 1 noname -0.0673 14 C12 3.0579 1.6595 1.5103 C.3 1 noname 0.0031 15 C13 1.9939 3.8496 -2.0308 C.2 1 noname -0.0707 16 C14 3.1499 4.1807 -1.3097 C.2 1 noname -0.0868 17 H1 1.9809 -0.6466 -0.1029 H 1 noname 0.1019 18 H2 -2.6672 -1.4326 1.1191 H 1 noname 0.0645 19 H3 -1.2272 3.1045 0.0381 H 1 noname 0.0643 20 H4 -4.2613 0.4115 1.1792 H 1 noname 0.0623 21 H5 -3.5433 2.6645 0.6422 H 1 noname 0.0623 22 H6 0.3448 2.5535 -2.1368 H 1 noname 0.0642 23 H7 4.3309 3.7037 0.3603 H 1 noname 0.0626 24 H8 3.9099 2.1305 2.0033 H 1 noname 0.0280 25 H9 2.2158 1.6575 2.2053 H 1 noname 0.0280 26 H10 3.3299 0.6315 1.2713 H 1 noname 0.0280 27 H11 1.7428 4.3796 -2.8658 H 1 noname 0.0623 28 H12 3.7409 4.9528 -1.6187 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 17 1 7 4 7 1 8 4 6 1 9 5 8 2 10 5 18 1 11 6 9 1 12 7 10 2 13 7 19 1 14 8 10 1 15 8 20 1 16 9 11 2 17 9 12 1 18 10 21 1 19 11 13 1 20 11 14 1 21 12 15 2 22 12 22 1 23 13 16 2 24 13 23 1 25 14 24 1 26 14 25 1 27 14 26 1 28 15 16 1 29 15 27 1 30 16 28 1 @SUBSTRUCTURE 1 noname 1