@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3693 31 33 1 SMALL USER_CHARGES @ATOM 1 N1 -1.1237 1.9023 0.6050 N.2 1 noname -0.2053 2 C1 -2.2568 1.1643 0.5590 C.2 1 noname 0.0933 3 C2 0.0362 1.4423 0.0710 C.2 1 noname 0.0551 4 N2 -2.2418 -0.0547 -0.0289 N.2 1 noname -0.2196 5 N3 -3.3869 1.6383 1.0930 N.3 1 noname -0.0791 6 C3 1.2282 2.1884 0.1010 C.2 1 noname 0.0892 7 C4 0.0801 0.1743 -0.5469 C.2 1 noname 0.0299 8 C5 -1.1118 -0.5646 -0.5789 C.2 1 noname 0.0550 9 N4 2.3532 1.6574 -0.4499 N.2 1 noname -0.2089 10 N5 1.2152 3.4115 0.6931 N.3 1 noname 0.0149 11 N6 1.2331 -0.2946 -1.0809 N.2 1 noname -0.2298 12 C6 2.3702 0.4373 -1.0359 C.2 1 noname 0.0626 13 C7 2.2602 4.2706 0.8121 C.2 1 noname -0.0334 14 C8 3.1692 4.5316 -0.2358 C.2 1 noname -0.0629 15 C9 2.3971 4.9716 2.0252 C.2 1 noname -0.0663 16 C10 4.2172 5.4577 -0.0697 C.2 1 noname -0.0604 17 C11 3.4381 5.8987 2.2003 C.2 1 noname -0.0649 18 C12 4.3471 6.1398 1.1563 C.2 1 noname -0.0875 19 C13 5.1532 5.7017 -1.1777 C.3 1 noname -0.0016 20 H1 -4.1970 1.1073 1.0581 H 1 noname 0.1273 21 H2 -3.3930 2.5114 1.5131 H 1 noname 0.1273 22 H3 -1.1309 -1.4866 -1.0149 H 1 noname 0.0864 23 H4 0.3801 3.6795 1.1071 H 1 noname 0.1358 24 H5 3.2332 0.0734 -1.4399 H 1 noname 0.1062 25 H6 3.0651 4.0496 -1.1298 H 1 noname 0.0642 26 H7 1.7400 4.8057 2.7893 H 1 noname 0.0639 27 H8 3.5341 6.3978 3.0844 H 1 noname 0.0623 28 H9 5.1001 6.8149 1.2903 H 1 noname 0.0625 29 H10 5.9052 6.4438 -0.9027 H 1 noname 0.0279 30 H11 5.6602 4.7717 -1.4377 H 1 noname 0.0279 31 H12 4.6041 6.0648 -2.0477 H 1 noname 0.0279 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 7 1 7 4 8 2 8 5 20 1 9 5 21 1 10 6 9 1 11 6 10 1 12 7 11 2 13 7 8 1 14 8 22 1 15 9 12 2 16 10 13 1 17 10 23 1 18 11 12 1 19 12 24 1 20 13 14 2 21 13 15 1 22 14 16 1 23 14 25 1 24 15 17 2 25 15 26 1 26 16 18 2 27 16 19 1 28 17 18 1 29 17 27 1 30 18 28 1 31 19 29 1 32 19 30 1 33 19 31 1 @SUBSTRUCTURE 1 noname 1