@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441561 28 30 1 SMALL USER_CHARGES @ATOM 1 O1 2.8203 -8.5662 0.9688 O.2 1 noname -0.2810 2 C1 3.9563 -8.0871 0.7599 C.2 1 noname 0.0635 3 N1 4.0583 -6.7659 0.4399 N.3 1 noname 0.0141 4 C2 5.1234 -8.8841 0.8469 C.2 1 noname 0.0621 5 C3 5.2564 -6.1619 0.1959 C.2 1 noname -0.0814 6 N2 5.0513 -10.2011 1.1630 N.2 1 noname -0.2190 7 C4 6.3804 -8.2800 0.5969 C.2 1 noname 0.0477 8 C5 6.4424 -6.9009 0.2690 C.2 1 noname -0.0120 9 C6 6.1594 -10.9721 1.2480 C.2 1 noname 0.0554 10 C7 7.5184 -9.1080 0.6930 C.2 1 noname 0.0579 11 N3 7.3694 -10.4181 1.0130 N.2 1 noname -0.2206 12 N4 8.7605 -8.6179 0.4690 N.3 1 noname -0.1002 13 C8 9.9335 -9.4109 0.5540 C.3 1 noname 0.0128 14 C9 11.2496 -8.6358 0.4300 C.3 1 noname -0.0373 15 C10 10.3605 -9.8959 1.9451 C.3 1 noname -0.0373 16 C11 11.7335 -9.2458 1.7492 C.3 1 noname -0.0503 17 H1 3.2462 -6.2389 0.3839 H 1 noname 0.1368 18 H2 5.2873 -5.1697 -0.0400 H 1 noname 0.0754 19 H3 7.3354 -6.4418 0.0850 H 1 noname 0.0641 20 H4 6.0823 -11.9612 1.4871 H 1 noname 0.1062 21 H5 8.8554 -7.6818 0.2390 H 1 noname 0.1299 22 H6 9.8555 -10.2139 -0.1809 H 1 noname 0.0468 23 H7 11.8536 -8.8858 -0.4429 H 1 noname 0.0282 24 H8 11.1515 -7.5497 0.4591 H 1 noname 0.0282 25 H9 10.3715 -10.9790 2.0712 H 1 noname 0.0282 26 H10 9.7844 -9.4769 2.7713 H 1 noname 0.0282 27 H11 12.5535 -9.9568 1.6402 H 1 noname 0.0268 28 H12 12.0195 -8.5257 2.5163 H 1 noname 0.0268 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 17 1 6 4 6 2 7 4 7 1 8 5 8 2 9 5 18 1 10 6 9 1 11 7 10 2 12 7 8 1 13 8 19 1 14 9 11 2 15 9 20 1 16 10 12 1 17 10 11 1 18 12 13 1 19 12 21 1 20 13 14 1 21 13 15 1 22 13 22 1 23 14 16 1 24 14 23 1 25 14 24 1 26 15 16 1 27 15 25 1 28 15 26 1 29 16 27 1 30 16 28 1 @SUBSTRUCTURE 1 noname 1