@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444132 59 64 1 SMALL USER_CHARGES @ATOM 1 O1 31.6130 -5.3679 3.1655 O.3 1 noname -0.3312 2 C1 30.5290 -4.6089 2.8446 C.2 1 noname 0.1193 3 C2 32.3650 -4.6139 3.9895 C.2 1 noname 0.0383 4 N1 30.5959 -3.4019 3.4506 N.2 1 noname -0.2051 5 C3 29.4839 -5.0479 1.9966 C.2 1 noname 0.0080 6 C4 31.7269 -3.3949 4.1656 C.2 1 noname 0.0432 7 C5 33.5859 -4.8949 4.6196 C.2 1 noname 0.0046 8 C6 28.3679 -4.2468 1.6666 C.2 1 noname 0.0683 9 C7 29.5319 -6.3478 1.4457 C.2 1 noname 0.0165 10 C8 32.2779 -2.3989 4.9856 C.2 1 noname 0.0051 11 C9 34.1508 -3.9038 5.4476 C.2 1 noname -0.0305 12 N2 27.4019 -4.7368 0.8557 N.2 1 noname -0.2529 13 N3 28.1928 -2.9928 2.1127 N.3 1 noname -0.1095 14 C10 28.5139 -6.8487 0.6027 C.2 1 noname -0.0273 15 C11 33.5008 -2.6638 5.6486 C.2 1 noname -0.0089 16 C12 27.4368 -5.9817 0.3267 C.2 1 noname 0.0295 17 C13 28.5709 -8.1607 0.0598 C.2 1 noname 0.0130 18 N4 34.1108 -1.7518 6.4517 N.3 1 noname -0.0246 19 C14 29.5638 -9.1236 0.2248 C.2 1 noname 0.0297 20 C15 27.6468 -8.7946 -0.7651 C.2 1 noname -0.0662 21 C16 33.5117 -0.9107 7.3387 C.2 1 noname -0.0326 22 N5 29.2348 -10.2316 -0.4571 N.2 1 noname -0.2932 23 N6 28.0958 -10.0306 -1.0430 N.3 1 noname -0.0213 24 C17 32.3097 -1.2217 8.0137 C.2 1 noname -0.0611 25 C18 34.1587 0.3072 7.6248 C.2 1 noname -0.0611 26 C19 27.4298 -10.9885 -1.8590 C.3 1 noname -0.0220 27 C20 31.7577 -0.3187 8.9388 C.2 1 noname -0.0637 28 C21 33.6077 1.2102 8.5508 C.2 1 noname -0.0637 29 C22 28.3037 -11.3615 -3.0699 C.3 1 noname -0.0199 30 C23 27.1137 -12.2585 -1.0499 C.3 1 noname -0.0199 31 C24 32.4056 0.8982 9.2058 C.2 1 noname -0.0856 32 C25 27.6057 -12.4455 -3.9049 C.3 1 noname -0.0030 33 C26 26.4587 -13.3094 -1.9589 C.3 1 noname -0.0030 34 N7 27.3477 -13.6374 -3.0839 N.3 1 noname -0.3165 35 H1 34.0518 -5.7918 4.4816 H 1 noname 0.0651 36 H2 30.3288 -6.9447 1.6707 H 1 noname 0.0638 37 H3 31.7998 -1.5048 5.0986 H 1 noname 0.0663 38 H4 35.0398 -4.0928 5.9136 H 1 noname 0.0640 39 H5 27.4048 -2.4948 1.8487 H 1 noname 0.1258 40 H6 28.8518 -2.5858 2.6967 H 1 noname 0.1258 41 H7 26.6668 -6.2757 -0.2752 H 1 noname 0.0846 42 H8 35.0787 -1.7057 6.3967 H 1 noname 0.1342 43 H9 30.4148 -9.0156 0.7758 H 1 noname 0.0863 44 H10 26.7718 -8.3966 -1.1060 H 1 noname 0.0816 45 H11 31.8357 -2.1077 7.8378 H 1 noname 0.0639 46 H12 35.0346 0.5422 7.1558 H 1 noname 0.0639 47 H13 26.4887 -10.5765 -2.2309 H 1 noname 0.0527 48 H14 30.8866 -0.5496 9.4188 H 1 noname 0.0623 49 H15 34.0816 2.0922 8.7468 H 1 noname 0.0623 50 H16 29.2677 -11.7404 -2.7249 H 1 noname 0.0299 51 H17 28.4677 -10.4775 -3.6859 H 1 noname 0.0299 52 H18 28.0347 -12.6684 -0.6339 H 1 noname 0.0299 53 H19 26.4337 -12.0094 -0.2339 H 1 noname 0.0299 54 H20 32.0046 1.5533 9.8778 H 1 noname 0.0622 55 H21 26.6657 -12.0554 -4.3008 H 1 noname 0.0428 56 H22 28.2507 -12.7224 -4.7388 H 1 noname 0.0428 57 H23 25.5077 -12.9284 -2.3348 H 1 noname 0.0428 58 H24 26.2717 -14.2134 -1.3799 H 1 noname 0.0428 59 H25 26.8477 -14.3053 -3.6748 H 1 noname 0.1222 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 6 1 8 5 8 2 9 5 9 1 10 6 10 1 11 7 11 2 12 7 35 1 13 8 12 1 14 8 13 1 15 9 14 2 16 9 36 1 17 10 15 2 18 10 37 1 19 11 15 1 20 11 38 1 21 12 16 2 22 13 39 1 23 13 40 1 24 14 17 1 25 14 16 1 26 15 18 1 27 16 41 1 28 17 19 1 29 17 20 2 30 18 21 1 31 18 42 1 32 19 22 2 33 19 43 1 34 20 23 1 35 20 44 1 36 21 24 2 37 21 25 1 38 22 23 1 39 23 26 1 40 24 27 1 41 24 45 1 42 25 28 2 43 25 46 1 44 26 29 1 45 26 30 1 46 26 47 1 47 27 31 2 48 27 48 1 49 28 31 1 50 28 49 1 51 29 32 1 52 29 50 1 53 29 51 1 54 30 33 1 55 30 52 1 56 30 53 1 57 31 54 1 58 32 34 1 59 32 55 1 60 32 56 1 61 33 34 1 62 33 57 1 63 33 58 1 64 34 59 1 @SUBSTRUCTURE 1 noname 1