@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443936 30 33 1 SMALL USER_CHARGES @ATOM 1 Cl1 3.9406 -6.1345 2.6258 Cl 1 noname -0.0837 2 C1 4.8476 -7.1125 1.5849 C.2 1 noname -0.0076 3 C2 6.2495 -6.9905 1.5409 C.2 1 noname -0.0094 4 C3 4.2025 -8.0465 0.7569 C.2 1 noname -0.0225 5 C4 7.0325 -7.7954 0.6770 C.2 1 noname -0.0288 6 C5 4.9574 -8.8534 -0.1070 C.2 1 noname -0.0461 7 C6 8.4545 -7.6674 0.6350 C.2 1 noname 0.0131 8 C7 6.3564 -8.7284 -0.1459 C.2 1 noname -0.0395 9 C8 9.2034 -7.3344 1.7970 C.2 1 noname 0.0196 10 C9 9.1784 -7.8624 -0.5699 C.2 1 noname 0.0322 11 N1 10.5564 -7.2013 1.7611 N.2 1 noname -0.2096 12 C10 10.5724 -7.7183 -0.5778 C.2 1 noname 0.0983 13 C11 11.2303 -7.3863 0.6031 C.2 1 noname 0.1007 14 O1 11.4513 -7.8483 -1.6038 O.3 1 noname -0.3617 15 C12 12.5763 -7.3083 0.2921 C.2 1 noname 0.1138 16 C13 12.6713 -7.5972 -1.0657 C.2 1 noname 0.0503 17 N2 13.6623 -7.0222 1.0472 N.2 1 noname -0.2184 18 C14 13.9443 -7.5852 -1.6477 C.2 1 noname 0.0912 19 C15 14.8893 -7.0152 0.4632 C.2 1 noname 0.0635 20 N3 15.0142 -7.2942 -0.8626 N.2 1 noname -0.2174 21 N4 14.1172 -7.8521 -2.9487 N.3 1 noname -0.0997 22 H1 6.7025 -6.2974 2.1400 H 1 noname 0.0644 23 H2 3.1864 -8.1454 0.7759 H 1 noname 0.0638 24 H3 4.4904 -9.5344 -0.7069 H 1 noname 0.0623 25 H4 6.8784 -9.3374 -0.7768 H 1 noname 0.0629 26 H5 8.7324 -7.1963 2.6921 H 1 noname 0.0846 27 H6 8.7004 -8.0943 -1.4418 H 1 noname 0.0658 28 H7 15.7162 -6.8012 1.0193 H 1 noname 0.1062 29 H8 13.3532 -8.0601 -3.5076 H 1 noname 0.1258 30 H9 15.0092 -7.8371 -3.3286 H 1 noname 0.1258 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 22 1 6 4 6 2 7 4 23 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 24 1 12 7 9 2 13 7 10 1 14 8 25 1 15 9 11 1 16 9 26 1 17 10 12 2 18 10 27 1 19 11 13 2 20 12 14 1 21 12 13 1 22 13 15 1 23 14 16 1 24 15 17 1 25 15 16 2 26 16 18 1 27 17 19 2 28 18 20 2 29 18 21 1 30 19 20 1 31 19 28 1 32 21 29 1 33 21 30 1 @SUBSTRUCTURE 1 noname 1