@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3587 30 32 1 SMALL USER_CHARGES @ATOM 1 N1 -5.0587 6.6323 1.6551 N.2 1 noname -0.2257 2 C1 -4.5237 5.4013 1.8552 C.2 1 noname 0.0624 3 C2 -6.0817 6.8453 0.7962 C.2 1 noname 0.0578 4 N2 -3.4997 5.2534 2.7272 N.3 1 noname -0.0976 5 C3 -5.0448 4.2994 1.1482 C.2 1 noname 0.0263 6 N3 -6.5967 5.8024 0.1052 N.2 1 noname -0.2435 7 C4 -2.9438 6.3354 3.4632 C.3 1 noname 0.0265 8 C5 -6.1138 4.5454 0.2543 C.2 1 noname 0.0291 9 C6 -4.5708 2.9784 1.2763 C.2 1 noname 0.0303 10 C7 -1.8219 5.8575 4.2912 C.2 1 noname -0.0486 11 C8 -6.6789 3.4925 -0.4825 C.2 1 noname 0.0206 12 N4 -5.1408 1.9865 0.5493 N.2 1 noname -0.2433 13 C9 -1.8909 5.9055 5.6993 C.2 1 noname -0.0531 14 C10 -0.6599 5.3475 3.6773 C.2 1 noname -0.0531 15 C11 -6.1649 2.1976 -0.3145 C.2 1 noname 0.0129 16 C12 -0.8160 5.4446 6.4803 C.2 1 noname -0.0594 17 C13 0.4149 4.8875 4.4573 C.2 1 noname -0.0594 18 C14 0.3369 4.9356 5.8593 C.2 1 noname -0.0613 19 H1 -6.4607 7.7843 0.6692 H 1 noname 0.1062 20 H2 -3.1248 4.3695 2.8583 H 1 noname 0.1300 21 H3 -3.7238 6.7755 4.0903 H 1 noname 0.0482 22 H4 -2.5789 7.1014 2.7763 H 1 noname 0.0482 23 H5 -3.8028 2.7565 1.9103 H 1 noname 0.0847 24 H6 -7.4489 3.6625 -1.1295 H 1 noname 0.0661 25 H7 -2.7250 6.2725 6.1583 H 1 noname 0.0626 26 H8 -0.5960 5.3095 2.6593 H 1 noname 0.0626 27 H9 -6.5599 1.4166 -0.8394 H 1 noname 0.0839 28 H10 -0.8740 5.4806 7.4983 H 1 noname 0.0622 29 H11 1.2529 4.5196 4.0054 H 1 noname 0.0622 30 H12 1.1158 4.6017 6.4264 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 19 1 7 4 7 1 8 4 20 1 9 5 8 1 10 5 9 2 11 6 8 1 12 7 10 1 13 7 21 1 14 7 22 1 15 8 11 2 16 9 12 1 17 9 23 1 18 10 13 2 19 10 14 1 20 11 15 1 21 11 24 1 22 12 15 2 23 13 16 1 24 13 25 1 25 14 17 2 26 14 26 1 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