@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3267 27 29 1 SMALL USER_CHARGES @ATOM 1 N1 0.5199 -0.1732 -0.0866 N.2 1 noname -0.2330 2 C1 -0.5350 0.6537 0.1303 C.2 1 noname 0.0453 3 C2 0.5219 -1.4742 0.2843 C.2 1 noname 0.0494 4 N2 -0.4950 1.9547 -0.2715 N.3 1 noname 0.0128 5 C3 -1.6870 0.1387 0.7654 C.2 1 noname -0.0065 6 N3 -0.5690 -1.9871 0.8944 N.2 1 noname -0.2437 7 C4 0.5378 2.5817 -0.8915 C.2 1 noname 0.0028 8 C5 -1.6621 -1.2281 1.1434 C.2 1 noname 0.0518 9 C6 -2.8400 0.9077 1.0394 C.2 1 noname -0.0209 10 C7 1.8857 2.4377 -0.5024 C.2 1 noname -0.0021 11 C8 0.2478 3.4667 -1.9464 C.2 1 noname -0.0378 12 C9 -2.7751 -1.8071 1.7784 C.2 1 noname -0.0084 13 C10 -3.9480 0.3218 1.6744 C.2 1 noname -0.0521 14 N4 2.8607 3.1198 -1.1554 N.2 1 noname -0.2568 15 C11 1.2767 4.1597 -2.6043 C.2 1 noname -0.0285 16 C12 -3.9171 -1.0331 2.0435 C.2 1 noname -0.0369 17 C13 2.6017 3.9628 -2.1853 C.2 1 noname -0.0269 18 H1 1.3368 -2.0601 0.1044 H 1 noname 0.1062 19 H2 -1.3011 2.4777 -0.1425 H 1 noname 0.1358 20 H3 -2.8821 1.8937 0.7815 H 1 noname 0.0630 21 H4 2.1377 1.8258 0.2745 H 1 noname 0.0856 22 H5 -0.7181 3.6058 -2.2433 H 1 noname 0.0640 23 H6 -2.7562 -2.7910 2.0485 H 1 noname 0.0645 24 H7 -4.7791 0.8828 1.8695 H 1 noname 0.0622 25 H8 1.0657 4.7958 -3.3733 H 1 noname 0.0639 26 H9 -4.7242 -1.4550 2.5035 H 1 noname 0.0623 27 H10 3.3656 4.4538 -2.6502 H 1 noname 0.0839 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 18 1 7 4 7 1 8 4 19 1 9 5 8 1 10 5 9 2 11 6 8 1 12 7 10 2 13 7 11 1 14 8 12 2 15 9 13 1 16 9 20 1 17 10 14 1 18 10 21 1 19 11 15 2 20 11 22 1 21 12 16 1 22 12 23 1 23 13 16 2 24 13 24 1 25 14 17 2 26 15 17 1 27 15 25 1 28 16 26 1 29 17 27 1 @SUBSTRUCTURE 1 noname 1