@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3788 27 29 1 SMALL USER_CHARGES @ATOM 1 O1 1.0385 3.0311 -0.6922 O.2 1 noname -0.2703 2 C1 1.4664 1.8762 -0.4672 C.2 1 noname 0.0883 3 N1 0.6184 0.8933 -0.0172 N.3 1 noname -0.1532 4 C2 2.8393 1.6693 -0.7111 C.2 1 noname -0.0081 5 C3 -0.6955 0.9993 0.2738 C.2 1 noname 0.0096 6 C4 0.9373 -0.4025 0.2148 C.2 1 noname 0.0390 7 C5 3.7202 1.3813 0.3528 C.2 1 noname -0.0102 8 C6 3.3482 1.7633 -2.0230 C.2 1 noname -0.0102 9 C7 -1.1385 -0.2565 0.6868 C.2 1 noname 0.0252 10 C8 -1.5945 2.0833 0.2288 C.2 1 noname -0.0165 11 N2 -0.1176 -1.1185 0.6458 N.2 1 noname -0.2118 12 C9 5.0891 1.1814 0.1048 C.2 1 noname -0.0446 13 C10 4.7181 1.5623 -2.2690 C.2 1 noname -0.0446 14 C11 -2.4705 -0.4815 1.0678 C.2 1 noname -0.0091 15 C12 -2.9355 1.8744 0.6068 C.2 1 noname -0.0455 16 C13 5.5881 1.2714 -1.2049 C.2 1 noname -0.0374 17 C14 -3.3715 0.5994 1.0239 C.2 1 noname -0.0438 18 H1 1.8642 -0.8074 0.0788 H 1 noname 0.1020 19 H2 3.3712 1.3174 1.3108 H 1 noname 0.0630 20 H3 2.7272 1.9773 -2.8049 H 1 noname 0.0630 21 H4 -1.2886 3.0093 -0.0700 H 1 noname 0.0643 22 H5 5.7221 0.9724 0.8779 H 1 noname 0.0622 23 H6 5.0800 1.6294 -3.2199 H 1 noname 0.0622 24 H7 -2.7776 -1.4064 1.3688 H 1 noname 0.0645 25 H8 -3.5965 2.6513 0.5779 H 1 noname 0.0623 26 H9 6.5820 1.1265 -1.3839 H 1 noname 0.0622 27 H10 -4.3445 0.4605 1.2969 H 1 noname 0.0623 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 8 1 8 5 9 2 9 5 10 1 10 6 11 2 11 6 18 1 12 7 12 1 13 7 19 1 14 8 13 2 15 8 20 1 16 9 14 1 17 9 11 1 18 10 15 2 19 10 21 1 20 12 16 2 21 12 22 1 22 13 16 1 23 13 23 1 24 14 17 2 25 14 24 1 26 15 17 1 27 15 25 1 28 16 26 1 29 17 27 1 @SUBSTRUCTURE 1 noname 1