@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3743 32 35 1 SMALL USER_CHARGES @ATOM 1 N1 1.7341 2.0811 1.1269 N.2 1 noname -0.2244 2 C1 0.6080 2.6961 1.5879 C.2 1 noname 0.0411 3 C2 2.1860 2.2262 -0.1480 C.2 1 noname 0.0256 4 N2 0.1560 2.5462 2.8559 N.3 1 noname 0.0063 5 C3 -0.0979 3.5091 0.6909 C.2 1 noname 0.0304 6 N3 1.5070 3.0102 -1.0249 N.2 1 noname -0.2369 7 C4 0.7649 1.7763 3.7849 C.2 1 noname -0.0314 8 N4 -1.2199 4.2372 0.8350 N.3 1 noname -0.0319 9 C5 0.3849 3.6392 -0.6089 C.2 1 noname 0.0257 10 C6 0.3619 0.4393 3.9649 C.2 1 noname -0.0579 11 C7 1.7828 2.3123 4.5959 C.2 1 noname -0.0579 12 C8 -1.4810 4.8362 -0.3408 C.2 1 noname -0.0689 13 C9 -0.4960 4.4842 -1.2678 C.2 1 noname -0.0008 14 C10 0.9798 -0.3595 4.9419 C.2 1 noname -0.0629 15 C11 2.4008 1.5133 5.5739 C.2 1 noname -0.0629 16 C12 -2.5329 5.6932 -0.7018 C.2 1 noname -0.0407 17 C13 -0.5220 4.9682 -2.5847 C.2 1 noname -0.0281 18 C14 1.9998 0.1774 5.7469 C.2 1 noname -0.0828 19 C15 -2.5730 6.1882 -2.0217 C.2 1 noname -0.0506 20 C16 -1.5760 5.8282 -2.9557 C.2 1 noname -0.0518 21 H1 3.0349 1.7452 -0.4459 H 1 noname 0.1062 22 H2 -0.6559 3.0082 3.1109 H 1 noname 0.1358 23 H3 -1.7489 4.3152 1.6430 H 1 noname 0.1529 24 H4 -0.3790 0.0444 3.3840 H 1 noname 0.0639 25 H5 2.0768 3.2823 4.4750 H 1 noname 0.0639 26 H6 0.6888 -1.3294 5.0680 H 1 noname 0.0623 27 H7 3.1397 1.9044 6.1590 H 1 noname 0.0623 28 H8 -3.2520 5.9512 -0.0258 H 1 noname 0.0642 29 H9 0.2008 4.7053 -3.2567 H 1 noname 0.0630 30 H10 2.4487 -0.4014 6.4570 H 1 noname 0.0622 31 H11 -3.3290 6.8112 -2.3046 H 1 noname 0.0623 32 H12 -1.6190 6.1943 -3.9066 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 21 1 7 4 7 1 8 4 22 1 9 5 8 1 10 5 9 2 11 6 9 1 12 7 10 2 13 7 11 1 14 8 12 1 15 8 23 1 16 9 13 1 17 10 14 1 18 10 24 1 19 11 15 2 20 11 25 1 21 12 16 1 22 12 13 2 23 13 17 1 24 14 18 2 25 14 26 1 26 15 18 1 27 15 27 1 28 16 19 2 29 16 28 1 30 17 20 2 31 17 29 1 32 18 30 1 33 19 20 1 34 19 31 1 35 20 32 1 @SUBSTRUCTURE 1 noname 1