@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3804 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 2.6984 0.9569 2.0015 O.2 1 noname -0.2969 2 C1 3.4064 1.6369 1.2256 C.2 1 noname 0.0971 3 C2 2.8423 2.3300 0.1116 C.2 1 noname -0.0171 4 C3 4.8223 1.7420 1.6156 C.3 1 noname -0.0009 5 C4 1.4873 2.1670 -0.3253 C.2 1 noname 0.0151 6 C5 3.6493 3.3060 -0.5263 C.2 1 noname -0.0209 7 N1 0.6593 1.1210 0.0457 N.3 1 noname -0.0172 8 C6 0.9813 3.0721 -1.2912 C.2 1 noname -0.0431 9 C7 3.1292 4.1641 -1.5032 C.2 1 noname -0.0731 10 C8 -0.6787 1.1151 0.2547 C.2 1 noname -0.0472 11 C9 1.0352 -0.1758 0.1717 C.2 1 noname -0.0320 12 C10 1.7852 4.0621 -1.8712 C.2 1 noname -0.0420 13 C11 -1.0667 -0.1988 0.5078 C.2 1 noname 0.0113 14 C12 -1.6357 2.1501 0.3018 C.2 1 noname -0.0304 15 N2 0.0052 -0.9928 0.4508 N.2 1 noname -0.2287 16 C13 -2.4018 -0.5388 0.7788 C.2 1 noname -0.0105 17 C14 -2.9808 1.8272 0.5708 C.2 1 noname -0.0469 18 C15 -3.3629 0.4902 0.8049 C.2 1 noname -0.0439 19 H1 5.0193 1.1140 2.4857 H 1 noname 0.0313 20 H2 5.4573 1.4100 0.7936 H 1 noname 0.0313 21 H3 5.0633 2.7750 1.8707 H 1 noname 0.0313 22 H4 4.6252 3.4341 -0.2592 H 1 noname 0.0630 23 H5 0.0272 2.9761 -1.6372 H 1 noname 0.0642 24 H6 3.7262 4.8711 -1.9342 H 1 noname 0.0622 25 H7 1.9892 -0.5148 0.0378 H 1 noname 0.1019 26 H8 1.3982 4.6872 -2.5792 H 1 noname 0.0623 27 H9 -1.3657 3.1222 0.1568 H 1 noname 0.0643 28 H10 -2.6678 -1.5077 0.9569 H 1 noname 0.0645 29 H11 -3.6828 2.5672 0.6029 H 1 noname 0.0623 30 H12 -4.3389 0.2673 1.0009 H 1 noname 0.0623 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 4 19 1 7 4 20 1 8 4 21 1 9 5 7 1 10 5 8 1 11 6 9 2 12 6 22 1 13 7 10 1 14 7 11 1 15 8 12 2 16 8 23 1 17 9 12 1 18 9 24 1 19 10 13 2 20 10 14 1 21 11 15 2 22 11 25 1 23 12 26 1 24 13 16 1 25 13 15 1 26 14 17 2 27 14 27 1 28 16 18 2 29 16 28 1 30 17 18 1 31 17 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1