@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3319 31 33 1 SMALL USER_CHARGES @ATOM 1 N1 3.1974 1.2090 0.6907 N.2 1 noname -0.2179 2 C1 2.1155 2.0309 0.6627 C.2 1 noname 0.0582 3 C2 3.0934 -0.1378 0.6267 C.2 1 noname 0.0593 4 N2 2.2694 3.3799 0.7298 N.3 1 noname 0.0025 5 C3 0.8295 1.4610 0.5628 C.2 1 noname 0.0027 6 N3 1.8685 -0.7018 0.5318 N.2 1 noname -0.2359 7 C4 3.4643 4.0049 0.8318 C.2 1 noname -0.0634 8 C5 0.7424 0.0492 0.4978 C.2 1 noname 0.0249 9 C6 -0.3664 2.2040 0.5238 C.2 1 noname 0.0256 10 C7 4.1622 4.3899 -0.3280 C.2 1 noname -0.0598 11 C8 4.0022 4.2990 2.0988 C.2 1 noname -0.0598 12 C9 -0.5085 -0.5817 0.3989 C.2 1 noname 0.0085 13 N4 -1.5573 1.5611 0.4278 N.2 1 noname -0.2577 14 C10 5.3961 5.0550 -0.2219 C.2 1 noname -0.0703 15 C11 5.2361 4.9640 2.2058 C.2 1 noname -0.0703 16 C12 -1.6644 0.2122 0.3649 C.2 1 noname 0.0377 17 C13 5.9350 5.3430 1.0449 C.2 1 noname -0.0573 18 N5 -2.8784 -0.3446 0.2720 N.3 1 noname -0.1172 19 N6 7.1129 5.9790 1.1470 N.3 1 noname -0.1601 20 H1 3.9293 -0.7208 0.6508 H 1 noname 0.1062 21 H2 1.4754 3.9339 0.7068 H 1 noname 0.1357 22 H3 -0.3524 3.2230 0.5678 H 1 noname 0.0848 23 H4 3.7752 4.1850 -1.2499 H 1 noname 0.0639 24 H5 3.4982 4.0280 2.9438 H 1 noname 0.0639 25 H6 -0.5745 -1.5996 0.3519 H 1 noname 0.0679 26 H7 5.8980 5.3280 -1.0678 H 1 noname 0.0639 27 H8 5.6210 5.1710 3.1278 H 1 noname 0.0639 28 H9 -2.9704 -1.3095 0.2280 H 1 noname 0.1257 29 H10 -3.6654 0.2203 0.2500 H 1 noname 0.1257 30 H11 7.4809 6.1830 2.0210 H 1 noname 0.1242 31 H12 7.5969 6.2350 0.3470 H 1 noname 0.1242 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 20 1 7 4 7 1 8 4 21 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 22 1 17 10 14 1 18 10 23 1 19 11 15 2 20 11 24 1 21 12 16 1 22 12 25 1 23 13 16 2 24 14 17 2 25 14 26 1 26 15 17 1 27 15 27 1 28 16 18 1 29 17 19 1 30 18 28 1 31 18 29 1 32 19 30 1 33 19 31 1 @SUBSTRUCTURE 1 noname 1