@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442328 28 30 1 SMALL USER_CHARGES @ATOM 1 O1 8.6988 -10.8156 0.8762 O.3 1 noname -0.3915 2 C1 8.1238 -10.6275 -0.4106 C.3 1 noname 0.0690 3 C2 8.7628 -9.4815 -1.0925 C.2 1 noname -0.0152 4 C3 8.6477 -8.1565 -0.6025 C.2 1 noname 0.0073 5 C4 9.5017 -9.7245 -2.2685 C.2 1 noname -0.0195 6 C5 9.2977 -7.1165 -1.3275 C.2 1 noname 0.0213 7 C6 7.9157 -7.8315 0.5694 C.2 1 noname -0.0269 8 C7 10.1217 -8.6595 -2.9414 C.2 1 noname 0.0009 9 N1 9.9996 -7.4025 -2.4514 N.2 1 noname -0.2463 10 C8 9.1936 -5.7975 -0.8554 C.2 1 noname -0.0051 11 C9 7.8227 -6.5015 1.0264 C.2 1 noname -0.0403 12 C10 10.8976 -8.8934 -4.1624 C.3 1 noname 0.0313 13 C11 8.4726 -5.4965 0.2965 C.2 1 noname -0.0817 14 C12 9.7056 -4.5985 -1.3354 C.2 1 noname -0.0272 15 N2 8.5386 -4.1745 0.5155 N.3 1 noname -0.0760 16 C13 9.2775 -3.6075 -0.4563 C.2 1 noname -0.1091 17 H1 8.3188 -11.5625 1.3843 H 1 noname 0.2105 18 H2 7.0538 -10.4425 -0.3056 H 1 noname 0.0615 19 H3 8.2558 -11.5495 -0.9786 H 1 noname 0.0615 20 H4 9.5917 -10.6734 -2.6324 H 1 noname 0.0645 21 H5 7.4437 -8.5624 1.1014 H 1 noname 0.0630 22 H6 7.2956 -6.2754 1.8704 H 1 noname 0.0642 23 H7 11.3025 -7.9504 -4.5333 H 1 noname 0.0295 24 H8 11.7215 -9.5754 -3.9513 H 1 noname 0.0295 25 H9 10.2546 -9.3284 -4.9283 H 1 noname 0.0295 26 H10 10.2815 -4.4695 -2.1683 H 1 noname 0.0643 27 H11 8.1206 -3.7034 1.2535 H 1 noname 0.1522 28 H12 9.4895 -2.6135 -0.5353 H 1 noname 0.0789 @BOND 1 1 2 1 2 1 17 1 3 2 3 1 4 2 18 1 5 2 19 1 6 3 4 1 7 3 5 2 8 4 6 1 9 4 7 2 10 5 8 1 11 5 20 1 12 6 9 1 13 6 10 2 14 7 11 1 15 7 21 1 16 8 12 1 17 8 9 2 18 10 13 1 19 10 14 1 20 11 13 2 21 11 22 1 22 12 23 1 23 12 24 1 24 12 25 1 25 13 15 1 26 14 16 2 27 14 26 1 28 15 16 1 29 15 27 1 30 16 28 1 @SUBSTRUCTURE 1 noname 1