@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439729 30 32 1 SMALL USER_CHARGES @ATOM 1 S1 8.3555 -5.2388 1.5962 S.3 1 noname -0.1498 2 C1 8.5825 -3.7208 0.7813 C.2 1 noname 0.1124 3 C2 7.7915 -4.3128 2.9413 C.2 1 noname 0.0469 4 N1 8.2525 -2.6248 1.4853 N.2 1 noname -0.1908 5 N2 9.0514 -3.5888 -0.4775 N.3 1 noname -0.0936 6 C3 7.8045 -2.9408 2.7053 C.2 1 noname 0.0369 7 C4 7.3485 -4.8257 4.1703 C.2 1 noname 0.0037 8 C5 9.4154 -4.6087 -1.2874 C.2 1 noname 0.1372 9 C6 7.3755 -2.0438 3.6934 C.2 1 noname -0.0039 10 C7 6.9045 -3.9477 5.1923 C.2 1 noname -0.0242 11 O1 9.3543 -5.8086 -0.9384 O.2 1 noname -0.2752 12 C8 9.9003 -4.3106 -2.6353 C.3 1 noname 0.0099 13 C9 6.9274 -2.5518 4.9284 C.2 1 noname -0.0269 14 C10 6.4484 -4.4526 6.4484 C.2 1 noname -0.0067 15 C11 5.4234 -3.8086 7.1804 C.2 1 noname 0.0086 16 C12 6.9964 -5.6226 7.0244 C.2 1 noname -0.0297 17 N3 5.0024 -4.3026 8.3714 N.2 1 noname -0.2509 18 C13 6.5434 -6.1125 8.2594 C.2 1 noname -0.0233 19 C14 5.5243 -5.4205 8.9275 C.2 1 noname -0.0044 20 H1 9.1324 -2.6887 -0.8274 H 1 noname 0.1394 21 H2 7.3404 -5.8377 4.3053 H 1 noname 0.0644 22 H3 7.3884 -1.0388 3.5214 H 1 noname 0.0646 23 H4 9.2473 -4.7875 -3.3662 H 1 noname 0.0324 24 H5 10.9123 -4.6985 -2.7482 H 1 noname 0.0324 25 H6 9.9073 -3.2336 -2.8093 H 1 noname 0.0324 26 H7 6.6284 -1.8857 5.6414 H 1 noname 0.0629 27 H8 4.9744 -2.9666 6.8175 H 1 noname 0.0845 28 H9 7.7473 -6.1275 6.5514 H 1 noname 0.0630 29 H10 6.9493 -6.9555 8.6644 H 1 noname 0.0638 30 H11 5.1783 -5.7564 9.8265 H 1 noname 0.0839 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 6 1 8 5 8 1 9 5 20 1 10 6 9 1 11 7 10 2 12 7 21 1 13 8 11 2 14 8 12 1 15 9 13 2 16 9 22 1 17 10 14 1 18 10 13 1 19 12 23 1 20 12 24 1 21 12 25 1 22 13 26 1 23 14 15 2 24 14 16 1 25 15 17 1 26 15 27 1 27 16 18 2 28 16 28 1 29 17 19 2 30 18 19 1 31 18 29 1 32 19 30 1 @SUBSTRUCTURE 1 noname 1