@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441560 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 1.9280 -5.8799 0.9637 O.2 1 noname -0.2810 2 C1 3.0640 -5.3959 0.7597 C.2 1 noname 0.0635 3 N1 3.1650 -4.0688 0.4677 N.3 1 noname 0.0141 4 C2 4.2310 -6.1959 0.8288 C.2 1 noname 0.0621 5 C3 4.3629 -3.4608 0.2338 C.2 1 noname -0.0814 6 N2 4.1590 -7.5188 1.1168 N.2 1 noname -0.2190 7 C4 5.4870 -5.5858 0.5898 C.2 1 noname 0.0477 8 C5 5.5489 -4.2017 0.2888 C.2 1 noname -0.0120 9 C6 5.2669 -8.2908 1.1849 C.2 1 noname 0.0554 10 C7 6.6260 -6.4148 0.6678 C.2 1 noname 0.0579 11 N3 6.4769 -7.7307 0.9619 N.2 1 noname -0.2206 12 N4 7.8680 -5.9197 0.4569 N.3 1 noname -0.1002 13 C8 9.0509 -6.7047 0.5269 C.3 1 noname 0.0140 14 C9 9.1489 -7.7597 -0.5950 C.3 1 noname -0.0214 15 C10 10.2929 -5.8176 0.3719 C.3 1 noname -0.0361 16 C11 10.4849 -7.4986 -1.3169 C.3 1 noname 0.0479 17 C12 11.3259 -6.7266 -0.2929 C.3 1 noname -0.0358 18 C13 11.1008 -8.6366 -1.7639 C.1 1 noname 0.0631 19 N5 11.6178 -9.5906 -2.1388 N.1 1 noname -0.1953 20 H1 2.3529 -3.5408 0.4268 H 1 noname 0.1368 21 H2 4.3929 -2.4637 0.0178 H 1 noname 0.0754 22 H3 6.4419 -3.7387 0.1129 H 1 noname 0.0641 23 H4 5.1899 -9.2838 1.4029 H 1 noname 0.1062 24 H5 7.9599 -4.9737 0.2639 H 1 noname 0.1299 25 H6 9.1059 -7.2067 1.4960 H 1 noname 0.0469 26 H7 8.3238 -7.6646 -1.3019 H 1 noname 0.0296 27 H8 9.1239 -8.7537 -0.1419 H 1 noname 0.0296 28 H9 10.0809 -4.9726 -0.2850 H 1 noname 0.0283 29 H10 10.6469 -5.4596 1.3400 H 1 noname 0.0283 30 H11 10.2959 -6.8466 -2.1709 H 1 noname 0.0461 31 H12 11.7549 -7.3986 0.4550 H 1 noname 0.0280 32 H13 12.1119 -6.1446 -0.7749 H 1 noname 0.0280 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 20 1 6 4 6 2 7 4 7 1 8 5 8 2 9 5 21 1 10 6 9 1 11 7 10 2 12 7 8 1 13 8 22 1 14 9 11 2 15 9 23 1 16 10 12 1 17 10 11 1 18 12 13 1 19 12 24 1 20 13 14 1 21 13 15 1 22 13 25 1 23 14 16 1 24 14 26 1 25 14 27 1 26 15 17 1 27 15 28 1 28 15 29 1 29 16 18 1 30 16 17 1 31 16 30 1 32 17 31 1 33 17 32 1 34 18 19 3 @SUBSTRUCTURE 1 noname 1