@MOLECULE DB04764 59 62 1 SMALL USER_CHARGES @ATOM 1 O1 -3.1940 -3.0401 3.3771 O.2 1 noname -0.2931 2 C1 -3.0726 -1.8026 3.2483 C.2 1 noname 0.0238 3 N1 -2.1895 -1.2400 2.1836 N.3 1 noname -0.0664 4 C2 -3.8001 -0.8876 4.1461 C.2 1 noname 0.0208 5 C3 -1.1162 -2.2286 1.8079 C.3 1 noname 0.0067 6 C4 -2.9480 -0.7900 0.9532 C.3 1 noname 0.0067 7 C5 -4.5741 -1.4382 5.2021 C.2 1 noname 0.0280 8 C6 -3.7590 0.5280 3.9785 C.2 1 noname -0.0039 9 C7 0.0023 -1.3987 1.0995 C.3 1 noname -0.0329 10 C8 -2.0573 -0.3028 -0.2354 C.3 1 noname -0.0329 11 N2 -5.2740 -0.5527 5.9958 N.2 1 noname -0.2424 12 C9 -4.4874 1.4251 4.7880 C.2 1 noname -0.0082 13 C10 -0.5009 -0.3820 0.0148 C.3 1 noname -0.0137 14 C11 -5.2516 0.8140 5.8090 C.2 1 noname 0.0056 15 C12 -4.4548 2.8708 4.5873 C.3 1 noname 0.0169 16 C13 0.2229 0.9315 0.0295 C.2 1 noname -0.0508 17 C14 -5.5662 3.2763 3.6172 C.3 1 noname 0.0093 18 C15 1.4216 0.9980 -0.7660 C.2 1 noname -0.0473 19 C16 -0.2222 2.0911 0.7728 C.2 1 noname -0.0554 20 C17 -5.5336 4.7221 3.4165 C.2 1 noname -0.0577 21 C18 2.1770 2.2103 -0.8311 C.2 1 noname -0.0470 22 C19 0.5199 3.3123 0.7031 C.2 1 noname -0.0576 23 C20 -6.4550 5.3272 2.5699 C.2 1 noname -0.0647 24 C21 -4.5810 5.4934 4.0721 C.2 1 noname -0.0647 25 C22 1.7046 3.3462 -0.1001 C.2 1 noname -0.0526 26 C23 3.4005 2.2873 -1.6241 C.3 1 noname 0.0179 27 C24 -6.4240 6.7037 2.3788 C.2 1 noname -0.0634 28 C25 -4.5499 6.8698 3.8810 C.2 1 noname -0.0634 29 N3 4.5441 1.9137 -0.7933 N.3 1 noname -0.3265 30 C26 -5.4714 7.4750 3.0344 C.2 1 noname -0.0692 31 H1 -0.7075 -2.6227 2.7384 H 1 noname 0.0436 32 H2 -1.5516 -2.9063 1.0736 H 1 noname 0.0436 33 H3 -3.4643 -1.6825 0.5999 H 1 noname 0.0436 34 H4 -3.5211 0.0781 1.2789 H 1 noname 0.0436 35 H5 -4.6294 -2.5091 5.3977 H 1 noname 0.0847 36 H6 -3.1366 0.9476 3.1881 H 1 noname 0.0634 37 H7 0.4533 -0.7910 1.8839 H 1 noname 0.0286 38 H8 0.6065 -2.1279 0.5597 H 1 noname 0.0286 39 H9 -2.2611 -0.9959 -1.0516 H 1 noname 0.0286 40 H10 -2.2846 0.7570 -0.3508 H 1 noname 0.0286 41 H11 -0.1366 -0.7980 -0.9245 H 1 noname 0.0353 42 H12 -5.8514 1.4250 6.4835 H 1 noname 0.0842 43 H13 -4.6859 3.3133 5.5563 H 1 noname 0.0320 44 H14 -3.5015 3.0849 4.1039 H 1 noname 0.0320 45 H15 -5.3350 2.8339 2.6482 H 1 noname 0.0319 46 H16 -6.5194 3.0622 4.1006 H 1 noname 0.0319 47 H17 1.7596 0.1241 -1.3229 H 1 noname 0.0629 48 H18 -1.1207 2.0446 1.3882 H 1 noname 0.0625 49 H19 0.1904 4.1962 1.2492 H 1 noname 0.0622 50 H20 -7.2020 4.7224 2.0558 H 1 noname 0.0625 51 H21 -3.8584 5.0188 4.7359 H 1 noname 0.0625 52 H22 2.2707 4.2759 -0.1574 H 1 noname 0.0626 53 H23 3.3174 1.5307 -2.4043 H 1 noname 0.0476 54 H24 3.5353 3.3350 -1.8929 H 1 noname 0.0476 55 H25 -7.1466 7.1782 1.7149 H 1 noname 0.0622 56 H26 -3.8029 7.4747 4.3951 H 1 noname 0.0622 57 H27 4.6674 0.9533 -0.5063 H 1 noname 0.1187 58 H28 5.2107 2.6162 -0.5063 H 1 noname 0.1187 59 H29 -5.4470 8.5544 2.8846 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 8 1 8 5 9 1 9 6 10 1 10 7 11 1 11 8 12 2 12 9 13 1 13 10 13 1 14 11 14 2 15 12 15 1 16 12 14 1 17 13 16 1 18 15 17 1 19 16 18 2 20 16 19 1 21 17 20 1 22 18 21 1 23 19 22 2 24 20 23 2 25 20 24 1 26 21 25 2 27 21 26 1 28 22 25 1 29 23 27 1 30 24 28 2 31 26 29 1 32 27 30 2 33 28 30 1 34 5 31 1 35 5 32 1 36 6 33 1 37 6 34 1 38 7 35 1 39 8 36 1 40 9 37 1 41 9 38 1 42 10 39 1 43 10 40 1 44 13 41 1 45 14 42 1 46 15 43 1 47 15 44 1 48 17 45 1 49 17 46 1 50 18 47 1 51 19 48 1 52 22 49 1 53 23 50 1 54 24 51 1 55 25 52 1 56 26 53 1 57 26 54 1 58 27 55 1 59 28 56 1 60 29 57 1 61 29 58 1 62 30 59 1 @SUBSTRUCTURE 1 noname 1