@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3677 58 61 1 SMALL USER_CHARGES @ATOM 1 N1 -1.0685 6.8703 1.2467 N.2 1 noname -0.2177 2 C1 -0.6706 5.6304 1.6307 C.2 1 noname 0.0584 3 C2 -1.9646 7.0763 0.2548 C.2 1 noname 0.0594 4 N2 0.2193 5.4634 2.6478 N.3 1 noname 0.0073 5 C3 -1.2126 4.5074 0.9708 C.2 1 noname 0.0037 6 N3 -2.4986 6.0124 -0.3861 N.2 1 noname -0.2357 7 C4 0.8022 6.4485 3.3778 C.2 1 noname -0.0335 8 C5 -2.1536 4.7445 -0.0600 C.2 1 noname 0.0254 9 C6 -0.8797 3.1725 1.2708 C.2 1 noname 0.0261 10 C7 1.4292 7.5665 2.7868 C.2 1 noname -0.0634 11 C8 0.8232 6.3095 4.7778 C.2 1 noname -0.0668 12 C9 -2.7376 3.6705 -0.7520 C.2 1 noname 0.0102 13 N4 -1.4567 2.1616 0.5769 N.2 1 noname -0.2559 14 C10 2.0491 8.5485 3.5839 C.2 1 noname -0.0605 15 C11 1.4371 7.2856 5.5799 C.2 1 noname -0.0650 16 C12 -2.3647 2.3596 -0.4129 C.2 1 noname 0.0391 17 C13 2.0461 8.4035 4.9859 C.2 1 noname -0.0879 18 C14 2.6941 9.7055 2.9440 C.3 1 noname -0.0017 19 N5 -2.9098 1.3186 -1.0749 N.3 1 noname -0.1070 20 C15 -2.5618 -0.0292 -0.8038 C.3 1 noname 0.0026 21 C16 -3.3668 -0.9601 -1.7218 C.3 1 noname -0.0273 22 C17 -2.9929 -2.4340 -1.4917 C.3 1 noname -0.0005 23 N6 -1.5420 -2.6850 -1.6277 N.3 1 noname -0.3006 24 C18 -1.0900 -2.5019 -3.0226 C.3 1 noname 0.0111 25 C19 -1.2440 -4.0639 -1.1906 C.3 1 noname 0.0111 26 C20 0.4138 -2.7929 -3.1366 C.3 1 noname 0.0108 27 C21 0.2598 -4.3488 -1.3076 C.3 1 noname 0.0108 28 N7 0.6908 -4.1758 -2.7065 N.3 1 noname -0.3037 29 C22 2.1307 -4.4628 -2.8285 C.3 1 noname -0.0132 30 H1 -2.2366 8.0244 -0.0061 H 1 noname 0.1062 31 H2 0.4192 4.5525 2.9128 H 1 noname 0.1357 32 H3 -0.2047 2.9515 2.0039 H 1 noname 0.0848 33 H4 1.4381 7.6645 1.7709 H 1 noname 0.0642 34 H5 0.3861 5.4986 5.2189 H 1 noname 0.0639 35 H6 -3.4187 3.8416 -1.4919 H 1 noname 0.0679 36 H7 1.4431 7.1826 6.5949 H 1 noname 0.0623 37 H8 2.4910 9.1076 5.5749 H 1 noname 0.0625 38 H9 3.4930 9.3596 2.2860 H 1 noname 0.0279 39 H10 1.9580 10.2546 2.3550 H 1 noname 0.0279 40 H11 3.1210 10.3806 3.6870 H 1 noname 0.0279 41 H12 -3.5608 1.4987 -1.7708 H 1 noname 0.1296 42 H13 -1.4949 -0.1741 -0.9848 H 1 noname 0.0433 43 H14 -2.7848 -0.2711 0.2371 H 1 noname 0.0433 44 H15 -4.4299 -0.8341 -1.5087 H 1 noname 0.0293 45 H16 -3.1899 -0.6921 -2.7627 H 1 noname 0.0293 46 H17 -3.3059 -2.7000 -0.4807 H 1 noname 0.0431 47 H18 -3.5459 -3.0540 -2.1987 H 1 noname 0.0431 48 H19 -1.6380 -3.1698 -3.6886 H 1 noname 0.0443 49 H20 -1.2551 -1.4719 -3.3366 H 1 noname 0.0443 50 H21 -1.5401 -4.1888 -0.1486 H 1 noname 0.0443 51 H22 -1.7931 -4.7809 -1.8046 H 1 noname 0.0443 52 H23 0.7178 -2.6638 -4.1765 H 1 noname 0.0443 53 H24 0.9638 -2.0848 -2.5145 H 1 noname 0.0443 54 H25 0.4477 -5.3758 -0.9906 H 1 noname 0.0443 55 H26 0.8067 -3.6678 -0.6536 H 1 noname 0.0443 56 H27 2.3267 -5.4907 -2.5245 H 1 noname 0.0394 57 H28 2.4427 -4.3397 -3.8664 H 1 noname 0.0394 58 H29 2.7107 -3.7857 -2.1984 H 1 noname 0.0394 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 30 1 7 4 7 1 8 4 31 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 32 1 17 10 14 1 18 10 33 1 19 11 15 2 20 11 34 1 21 12 16 1 22 12 35 1 23 13 16 2 24 14 17 2 25 14 18 1 26 15 17 1 27 15 36 1 28 16 19 1 29 17 37 1 30 18 38 1 31 18 39 1 32 18 40 1 33 19 20 1 34 19 41 1 35 20 21 1 36 20 42 1 37 20 43 1 38 21 22 1 39 21 44 1 40 21 45 1 41 22 23 1 42 22 46 1 43 22 47 1 44 23 24 1 45 23 25 1 46 24 26 1 47 24 48 1 48 24 49 1 49 25 27 1 50 25 50 1 51 25 51 1 52 26 28 1 53 26 52 1 54 26 53 1 55 27 28 1 56 27 54 1 57 27 55 1 58 28 29 1 59 29 56 1 60 29 57 1 61 29 58 1 @SUBSTRUCTURE 1 noname 1