@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443939 30 33 1 SMALL USER_CHARGES @ATOM 1 O1 6.6879 -4.4261 0.1733 O.3 1 noname -0.3617 2 C1 8.0178 -4.2321 -0.0146 C.2 1 noname 0.0503 3 C2 6.4418 -4.0150 1.4433 C.2 1 noname 0.0983 4 C3 8.8308 -4.4750 -1.1286 C.2 1 noname 0.0912 5 C4 8.6198 -3.7020 1.1234 C.2 1 noname 0.1137 6 C5 7.6068 -3.5640 2.0573 C.2 1 noname 0.1000 7 C6 5.2377 -3.9980 2.1603 C.2 1 noname 0.0317 8 N1 10.1548 -4.1840 -1.0426 N.2 1 noname -0.2174 9 N2 8.3258 -4.9820 -2.2606 N.3 1 noname -0.0997 10 N3 9.9428 -3.4230 1.1774 N.2 1 noname -0.2184 11 N4 7.6047 -3.1070 3.3304 N.2 1 noname -0.2097 12 C7 5.2177 -3.5249 3.4984 C.2 1 noname 0.0130 13 C8 10.7137 -3.6669 0.0854 C.2 1 noname 0.0635 14 C9 6.4497 -3.0799 4.0494 C.2 1 noname 0.0190 15 C10 4.0086 -3.4999 4.2595 C.2 1 noname -0.0392 16 C11 2.7566 -3.2648 3.6405 C.2 1 noname -0.0430 17 C12 4.0186 -3.7138 5.6605 C.2 1 noname -0.0430 18 C13 1.5665 -3.2428 4.3866 C.2 1 noname -0.0565 19 C14 2.8295 -3.6928 6.4096 C.2 1 noname -0.0565 20 C15 1.6025 -3.4567 5.7726 C.2 1 noname -0.0563 21 H1 4.3897 -4.3409 1.7094 H 1 noname 0.0658 22 H2 7.3807 -5.1889 -2.3215 H 1 noname 0.1258 23 H3 8.9087 -5.1419 -3.0185 H 1 noname 0.1258 24 H4 11.7117 -3.4618 0.1105 H 1 noname 0.1062 25 H5 6.4886 -2.7169 5.0025 H 1 noname 0.0846 26 H6 2.6996 -3.0928 2.6355 H 1 noname 0.0629 27 H7 4.8946 -3.8998 6.1516 H 1 noname 0.0629 28 H8 0.6755 -3.0697 3.9196 H 1 noname 0.0622 29 H9 2.8585 -3.8517 7.4176 H 1 noname 0.0622 30 H10 0.7385 -3.4417 6.3147 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 8 1 8 4 9 1 9 5 10 2 10 5 6 1 11 6 11 1 12 7 12 2 13 7 21 1 14 8 13 2 15 9 22 1 16 9 23 1 17 10 13 1 18 11 14 2 19 12 15 1 20 12 14 1 21 13 24 1 22 14 25 1 23 15 16 2 24 15 17 1 25 16 18 1 26 16 26 1 27 17 19 2 28 17 27 1 29 18 20 2 30 18 28 1 31 19 20 1 32 19 29 1 33 20 30 1 @SUBSTRUCTURE 1 noname 1