@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3510 30 32 1 SMALL USER_CHARGES @ATOM 1 N1 1.5638 1.3900 1.5638 N.2 1 noname -0.2379 2 C1 0.5478 2.2320 1.2399 C.2 1 noname 0.0248 3 C2 1.4708 0.0470 1.4409 C.2 1 noname 0.0276 4 N2 0.6827 3.5790 1.3909 N.3 1 noname 0.0018 5 C3 -0.6631 1.6870 0.7589 C.2 1 noname -0.0065 6 N3 0.3227 -0.4958 0.9809 N.2 1 noname -0.2488 7 C4 1.7817 4.2410 1.8390 C.2 1 noname -0.0315 8 C5 -0.7362 0.2761 0.6400 C.2 1 noname 0.0275 9 C6 -1.7841 2.4671 0.3969 C.2 1 noname -0.0165 10 C7 1.5877 5.3001 2.7470 C.2 1 noname -0.0582 11 C8 3.0886 3.9511 1.3920 C.2 1 noname -0.0582 12 C9 -1.9102 -0.3347 0.1670 C.2 1 noname -0.0064 13 C10 -2.9562 1.8511 -0.0769 C.2 1 noname -0.0207 14 C11 2.6836 6.0391 3.2260 C.2 1 noname -0.0630 15 C12 4.1856 4.6891 1.8691 C.2 1 noname -0.0630 16 C13 -3.0182 0.4512 -0.1908 C.2 1 noname -0.0312 17 N4 -4.0172 2.5982 -0.4209 N.3 1 noname -0.1548 18 C14 3.9835 5.7321 2.7891 C.2 1 noname -0.0831 19 H1 2.2587 -0.5498 1.6949 H 1 noname 0.1062 20 H2 -0.0982 4.1211 1.2010 H 1 noname 0.1357 21 H3 -1.7522 3.4851 0.4750 H 1 noname 0.0647 22 H4 0.6476 5.5331 3.0680 H 1 noname 0.0639 23 H5 3.2456 3.2041 0.7141 H 1 noname 0.0639 24 H6 -1.9612 -1.3507 0.0821 H 1 noname 0.0646 25 H7 2.5356 6.8001 3.8891 H 1 noname 0.0623 26 H8 5.1275 4.4701 1.5451 H 1 noname 0.0623 27 H9 -3.8682 0.0003 -0.5338 H 1 noname 0.0639 28 H10 -4.8242 2.1732 -0.7508 H 1 noname 0.1242 29 H11 -3.9782 3.5642 -0.3398 H 1 noname 0.1242 30 H12 4.7785 6.2692 3.1361 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 2 13 7 11 1 14 8 12 2 15 9 13 1 16 9 21 1 17 10 14 1 18 10 22 1 19 11 15 2 20 11 23 1 21 12 16 1 22 12 24 1 23 13 17 1 24 13 16 2 25 14 18 2 26 14 25 1 27 15 18 1 28 15 26 1 29 16 27 1 30 17 28 1 31 17 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1