@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3608 30 32 1 SMALL USER_CHARGES @ATOM 1 N1 0.0000 -0.5224 1.9167 N.2 1 noname -0.2161 2 C1 -0.9639 0.2914 1.4268 C.2 1 noname 0.0566 3 C2 1.2708 -0.0874 2.0767 C.2 1 noname 0.0665 4 N2 -2.2269 -0.1794 1.2788 N.2 1 noname -0.2093 5 C3 -0.6630 1.6264 1.0688 C.2 1 noname 0.0250 6 N3 1.5848 1.1844 1.7408 N.2 1 noname -0.2236 7 C4 -3.2409 0.5805 0.7949 C.2 1 noname 0.0121 8 C5 0.6678 2.0524 1.2448 C.2 1 noname 0.0629 9 C6 -1.7020 2.4344 0.5639 C.2 1 noname -0.0081 10 C7 -2.9990 1.9125 0.4240 C.2 1 noname -0.0154 11 N4 1.0447 3.3124 0.9259 N.3 1 noname -0.0975 12 C8 2.3756 3.7884 1.0809 C.3 1 noname 0.0265 13 C9 2.4725 5.1844 0.6170 C.2 1 noname -0.0486 14 C10 2.8155 6.2214 1.5100 C.2 1 noname -0.0531 15 C11 2.2295 5.4964 -0.7368 C.2 1 noname -0.0531 16 C12 2.9074 7.5483 1.0581 C.2 1 noname -0.0594 17 C13 2.3204 6.8243 -1.1897 C.2 1 noname -0.0594 18 C14 2.6594 7.8504 -0.2917 C.2 1 noname -0.0613 19 H1 1.9858 -0.7144 2.4477 H 1 noname 0.1062 20 H2 -4.1759 0.1836 0.6999 H 1 noname 0.0840 21 H3 -1.5230 3.4024 0.2950 H 1 noname 0.0631 22 H4 -3.7539 2.4935 0.0590 H 1 noname 0.0639 23 H5 0.3777 3.9204 0.5720 H 1 noname 0.1300 24 H6 3.0595 3.1705 0.4960 H 1 noname 0.0482 25 H7 2.6565 3.7135 2.1349 H 1 noname 0.0482 26 H8 2.9974 6.0114 2.4920 H 1 noname 0.0626 27 H9 1.9844 4.7555 -1.3947 H 1 noname 0.0626 28 H10 3.1553 8.2933 1.7101 H 1 noname 0.0622 29 H11 2.1414 7.0424 -2.1696 H 1 noname 0.0622 30 H12 2.7263 8.8143 -0.6196 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 2 3 2 4 2 4 2 5 1 5 3 6 1 6 3 19 1 7 4 7 1 8 5 8 1 9 5 9 2 10 6 8 2 11 7 10 2 12 7 20 1 13 8 11 1 14 9 10 1 15 9 21 1 16 10 22 1 17 11 12 1 18 11 23 1 19 12 13 1 20 12 24 1 21 12 25 1 22 13 14 2 23 13 15 1 24 14 16 1 25 14 26 1 26 15 17 2 27 15 27 1 28 16 18 2 29 16 28 1 30 17 18 1 31 17 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1