@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3259 28 30 1 SMALL USER_CHARGES @ATOM 1 N1 -4.0069 6.4514 1.2183 N.2 1 noname -0.2334 2 C1 -3.6159 5.2264 1.6563 C.2 1 noname 0.0452 3 C2 -4.8899 6.6214 0.2083 C.2 1 noname 0.0494 4 N2 -2.7289 5.1024 2.6833 N.3 1 noname 0.0049 5 C3 -4.1569 4.0764 1.0413 C.2 1 noname -0.0070 6 N3 -5.4170 5.5354 -0.3976 N.2 1 noname -0.2441 7 C4 -2.1300 6.1105 3.3704 C.2 1 noname -0.0315 8 C5 -5.0810 4.2805 -0.0155 C.2 1 noname 0.0518 9 C6 -3.8270 2.7564 1.4214 C.2 1 noname -0.0209 10 C7 -2.0120 5.9725 4.7675 C.2 1 noname -0.0581 11 C8 -1.5780 7.2496 2.7454 C.2 1 noname -0.0581 12 C9 -5.6570 3.1805 -0.6755 C.2 1 noname -0.0084 13 C10 -4.4070 1.6614 0.7574 C.2 1 noname -0.0521 14 C11 -1.3790 6.9666 5.5325 C.2 1 noname -0.0630 15 C12 -0.9471 8.2466 3.5095 C.2 1 noname -0.0630 16 C13 -5.3201 1.8725 -0.2884 C.2 1 noname -0.0368 17 C14 -0.8491 8.1067 4.9035 C.2 1 noname -0.0830 18 H1 -5.1559 7.5594 -0.0916 H 1 noname 0.1062 19 H2 -2.5360 4.2025 2.9874 H 1 noname 0.1357 20 H3 -3.1660 2.5825 2.1784 H 1 noname 0.0630 21 H4 -2.3920 5.1476 5.2335 H 1 noname 0.0639 22 H5 -1.6290 7.3556 1.7314 H 1 noname 0.0639 23 H6 -6.3211 3.3295 -1.4364 H 1 noname 0.0645 24 H7 -4.1640 0.7105 1.0374 H 1 noname 0.0622 25 H8 -1.3031 6.8607 6.5446 H 1 noname 0.0623 26 H9 -0.5561 9.0697 3.0515 H 1 noname 0.0623 27 H10 -5.7391 1.0756 -0.7684 H 1 noname 0.0623 28 H11 -0.3891 8.8287 5.4586 H 1 noname 0.0622 @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 14 25 1 27 15 17 1 28 15 26 1 29 16 27 1 30 17 28 1 @SUBSTRUCTURE 1 noname 1