@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444246 70 73 1 SMALL USER_CHARGES @ATOM 1 O1 7.0010 -28.2061 2.7784 O.2 1 noname -0.2733 2 C1 6.9580 -29.4331 2.5255 C.2 1 noname 0.0953 3 N1 7.9810 -30.2350 2.9415 N.3 1 noname -0.1432 4 C2 5.8649 -29.9711 1.7925 C.2 1 noname 0.0015 5 C3 9.0829 -29.8510 3.6376 C.2 1 noname -0.0530 6 C4 4.7838 -29.1940 1.3105 C.2 1 noname 0.0799 7 C5 5.7989 -31.3521 1.5035 C.2 1 noname 0.0521 8 C6 9.0299 -28.9789 4.7467 C.2 1 noname -0.0372 9 C7 10.3219 -30.3979 3.2546 C.2 1 noname -0.0372 10 N2 3.7788 -29.7859 0.6205 N.2 1 noname -0.2371 11 N3 4.7078 -27.8539 1.5016 N.3 1 noname -0.0930 12 N4 4.7638 -31.8800 0.8106 N.2 1 noname -0.2602 13 C8 10.2029 -28.6448 5.4457 C.2 1 noname -0.0587 14 C9 11.4959 -30.0599 3.9487 C.2 1 noname -0.0587 15 C10 3.7487 -31.1109 0.3646 C.2 1 noname 0.0983 16 C11 3.6387 -27.0398 1.0346 C.3 1 noname 0.0129 17 C12 11.4409 -29.1808 5.0467 C.2 1 noname -0.0321 18 N5 2.7337 -31.6719 -0.3173 N.3 1 noname -0.0670 19 C13 4.0527 -25.5648 1.1777 C.3 1 noname -0.0349 20 C14 2.3456 -27.2938 1.8377 C.3 1 noname -0.0349 21 N6 12.5728 -28.8538 5.7148 N.3 1 noname -0.1329 22 C15 1.6306 -30.9189 -0.7983 C.3 1 noname 0.0029 23 C16 2.9256 -24.6367 0.6937 C.3 1 noname -0.0255 24 C17 1.2196 -26.3718 1.3487 C.3 1 noname -0.0255 25 C18 13.5108 -27.9257 5.1739 C.3 1 noname 0.0267 26 C19 12.9038 -29.4677 6.9589 C.3 1 noname 0.0267 27 C20 0.6476 -31.8498 -1.5212 C.3 1 noname -0.0404 28 C21 1.6366 -24.8997 1.4857 C.3 1 noname 0.0542 29 C22 14.8768 -28.6177 5.0499 C.3 1 noname 0.0599 30 C23 14.2768 -30.1447 6.8259 C.3 1 noname 0.0599 31 C24 -0.5564 -31.0528 -2.0442 C.3 1 noname -0.0549 32 O2 0.5985 -24.0676 0.9868 O.3 1 noname -0.3930 33 O3 15.2238 -29.2137 6.3000 O.3 1 noname -0.3786 34 C25 -1.5515 -31.9838 -2.7461 C.3 1 noname -0.0653 35 H1 7.9459 -31.1650 2.6746 H 1 noname 0.1374 36 H2 6.5348 -31.9860 1.8166 H 1 noname 0.0849 37 H3 8.1368 -28.5898 5.0507 H 1 noname 0.0639 38 H4 10.3749 -31.0409 2.4627 H 1 noname 0.0639 39 H5 5.4408 -27.4169 1.9636 H 1 noname 0.1299 40 H6 10.1549 -28.0108 6.2437 H 1 noname 0.0639 41 H7 12.3899 -30.4568 3.6567 H 1 noname 0.0639 42 H8 3.4557 -27.2448 -0.0223 H 1 noname 0.0468 43 H9 2.7576 -32.6269 -0.4783 H 1 noname 0.1312 44 H10 4.9447 -25.3807 0.5777 H 1 noname 0.0283 45 H11 4.2766 -25.3447 2.2227 H 1 noname 0.0283 46 H12 2.5306 -27.1088 2.8968 H 1 noname 0.0283 47 H13 2.0256 -28.3278 1.7117 H 1 noname 0.0283 48 H14 1.9806 -30.1548 -1.4952 H 1 noname 0.0433 49 H15 1.1195 -30.4368 0.0367 H 1 noname 0.0433 50 H16 3.2296 -23.5996 0.8337 H 1 noname 0.0293 51 H17 2.7426 -24.8127 -0.3672 H 1 noname 0.0293 52 H18 0.3245 -26.5517 1.9458 H 1 noname 0.0293 53 H19 1.0005 -26.5927 0.3037 H 1 noname 0.0293 54 H20 13.6028 -27.0786 5.8539 H 1 noname 0.0458 55 H21 13.2038 -27.5557 4.1929 H 1 noname 0.0458 56 H22 12.9607 -28.6977 7.7299 H 1 noname 0.0458 57 H23 12.1637 -30.2127 7.2609 H 1 noname 0.0458 58 H24 0.2995 -32.6158 -0.8262 H 1 noname 0.0279 59 H25 1.1545 -32.3298 -2.3592 H 1 noname 0.0279 60 H26 1.8035 -24.6667 2.5388 H 1 noname 0.0600 61 H27 14.8258 -29.3887 4.2789 H 1 noname 0.0579 62 H28 15.6338 -27.8846 4.7729 H 1 noname 0.0579 63 H29 14.1967 -31.0007 6.1549 H 1 noname 0.0579 64 H30 14.6117 -30.4877 7.8049 H 1 noname 0.0579 65 H31 -0.2125 -30.2977 -2.7511 H 1 noname 0.0264 66 H32 -1.0565 -30.5607 -1.2091 H 1 noname 0.0264 67 H33 -0.2575 -24.1676 1.4528 H 1 noname 0.2104 68 H34 -1.9115 -32.7367 -2.0451 H 1 noname 0.0230 69 H35 -1.0656 -32.4757 -3.5891 H 1 noname 0.0230 70 H36 -2.3976 -31.4007 -3.1111 H 1 noname 0.0230 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 35 1 6 4 6 2 7 4 7 1 8 5 8 2 9 5 9 1 10 6 10 1 11 6 11 1 12 7 12 2 13 7 36 1 14 8 13 1 15 8 37 1 16 9 14 2 17 9 38 1 18 10 15 2 19 11 16 1 20 11 39 1 21 12 15 1 22 13 17 2 23 13 40 1 24 14 17 1 25 14 41 1 26 15 18 1 27 16 19 1 28 16 20 1 29 16 42 1 30 17 21 1 31 18 22 1 32 18 43 1 33 19 23 1 34 19 44 1 35 19 45 1 36 20 24 1 37 20 46 1 38 20 47 1 39 21 25 1 40 21 26 1 41 22 27 1 42 22 48 1 43 22 49 1 44 23 28 1 45 23 50 1 46 23 51 1 47 24 28 1 48 24 52 1 49 24 53 1 50 25 29 1 51 25 54 1 52 25 55 1 53 26 30 1 54 26 56 1 55 26 57 1 56 27 31 1 57 27 58 1 58 27 59 1 59 28 32 1 60 28 60 1 61 29 33 1 62 29 61 1 63 29 62 1 64 30 33 1 65 30 63 1 66 30 64 1 67 31 34 1 68 31 65 1 69 31 66 1 70 32 67 1 71 34 68 1 72 34 69 1 73 34 70 1 @SUBSTRUCTURE 1 noname 1