@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442318 27 29 1 SMALL USER_CHARGES @ATOM 1 O1 21.1478 -6.6949 -2.6046 O.2 1 noname -0.2587 2 C1 22.0838 -6.1998 -1.9426 C.2 1 noname 0.0893 3 O2 23.1547 -5.8308 -2.6825 O.3 1 noname -0.2184 4 C2 22.0607 -6.0238 -0.5276 C.2 1 noname 0.0196 5 C3 20.9777 -6.3837 0.3333 C.2 1 noname 0.0377 6 C4 23.2166 -5.4418 0.0473 C.2 1 noname 0.0215 7 C5 21.1297 -6.1316 1.7322 C.2 1 noname 0.0308 8 C6 19.7577 -6.9756 -0.1016 C.2 1 noname -0.0153 9 C7 23.3015 -5.2228 1.4293 C.2 1 noname 0.0144 10 N1 22.2626 -5.5726 2.2172 N.2 1 noname -0.2234 11 C8 20.0917 -6.4676 2.6162 C.2 1 noname -0.0018 12 C9 18.7247 -7.3076 0.7973 C.2 1 noname -0.0365 13 C10 24.4994 -4.6218 2.0233 C.3 1 noname 0.0325 14 C11 18.9127 -7.0445 2.1593 C.2 1 noname -0.0782 15 C12 19.9676 -6.3386 3.9942 C.2 1 noname -0.0269 16 N2 18.0997 -7.2605 3.2033 N.3 1 noname -0.0753 17 C13 18.7127 -6.8425 4.3262 C.2 1 noname -0.1090 18 H1 23.0486 -6.0057 -3.6394 H 1 noname 0.2216 19 H2 24.0105 -5.1718 -0.5355 H 1 noname 0.0650 20 H3 19.5897 -7.1796 -1.0825 H 1 noname 0.0630 21 H4 17.8587 -7.7315 0.4634 H 1 noname 0.0642 22 H5 24.3784 -4.5377 3.1043 H 1 noname 0.0295 23 H6 25.3683 -5.2447 1.8113 H 1 noname 0.0295 24 H7 24.6574 -3.6268 1.6064 H 1 noname 0.0295 25 H8 20.6596 -5.9505 4.6362 H 1 noname 0.0643 26 H9 17.2137 -7.6544 3.1573 H 1 noname 0.1522 27 H10 18.3226 -6.8884 5.2672 H 1 noname 0.0789 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 18 1 5 4 5 1 6 4 6 2 7 5 7 1 8 5 8 2 9 6 9 1 10 6 19 1 11 7 10 1 12 7 11 2 13 8 12 1 14 8 20 1 15 9 13 1 16 9 10 2 17 11 14 1 18 11 15 1 19 12 14 2 20 12 21 1 21 13 22 1 22 13 23 1 23 13 24 1 24 14 16 1 25 15 17 2 26 15 25 1 27 16 17 1 28 16 26 1 29 17 27 1 @SUBSTRUCTURE 1 noname 1