@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3874 27 29 1 SMALL USER_CHARGES @ATOM 1 O1 -0.3427 3.9469 -0.2570 O.2 1 noname -0.1424 2 N1 -1.4118 3.5159 0.0670 N.2 1 noname -0.0048 3 O2 -2.2759 4.3560 0.1360 O.3 1 noname -0.1424 4 C1 -1.6589 2.1899 0.3340 C.2 1 noname 0.0586 5 C2 -0.7009 1.1319 0.2820 C.2 1 noname 0.0161 6 C3 -2.9860 1.8299 0.6931 C.2 1 noname 0.0296 7 N2 0.6230 1.0410 -0.0019 N.3 1 noname -0.0007 8 C4 -1.0889 -0.1840 0.5721 C.2 1 noname 0.0328 9 C5 -3.3550 0.5039 0.9821 C.2 1 noname -0.0194 10 C6 1.5230 1.9951 -0.3428 C.2 1 noname -0.0234 11 C7 0.9840 -0.2539 0.1121 C.2 1 noname -0.0129 12 N3 -0.0539 -1.0230 0.4651 N.2 1 noname -0.2096 13 C8 -2.4010 -0.5209 0.9221 C.2 1 noname 0.0105 14 C9 1.7700 2.2861 -1.6999 C.2 1 noname -0.0538 15 C10 2.2440 2.6801 0.6572 C.2 1 noname -0.0538 16 C11 2.7170 3.2632 -2.0528 C.2 1 noname -0.0617 17 C12 3.1910 3.6572 0.3022 C.2 1 noname -0.0617 18 C13 3.4250 3.9503 -1.0517 C.2 1 noname -0.0842 19 H1 -3.7081 2.5500 0.7451 H 1 noname 0.0647 20 H2 -4.3201 0.2870 1.2352 H 1 noname 0.0624 21 H3 1.9270 -0.6139 -0.0458 H 1 noname 0.1019 22 H4 -2.6571 -1.4870 1.1292 H 1 noname 0.0645 23 H5 1.2579 1.7901 -2.4308 H 1 noname 0.0642 24 H6 2.0770 2.4721 1.6422 H 1 noname 0.0642 25 H7 2.8889 3.4743 -3.0358 H 1 noname 0.0623 26 H8 3.7070 4.1543 1.0282 H 1 noname 0.0623 27 H9 4.1110 4.6604 -1.3087 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 5 7 1 7 5 8 1 8 6 9 2 9 6 19 1 10 7 10 1 11 7 11 1 12 8 12 1 13 8 13 2 14 9 13 1 15 9 20 1 16 10 14 2 17 10 15 1 18 11 12 2 19 11 21 1 20 13 22 1 21 14 16 1 22 14 23 1 23 15 17 2 24 15 24 1 25 16 18 2 26 16 25 1 27 17 18 1 28 17 26 1 29 18 27 1 @SUBSTRUCTURE 1 noname 1