RDKit 3D 120128 0 0 0 0 0 0 0 0999 V2000 0.8657 -2.7674 -3.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6014 -2.2900 -2.0205 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1971 -1.1277 -1.6331 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0762 -0.0792 -1.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8622 -0.3899 -0.4214 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1161 -0.5937 -0.9064 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0534 0.3528 -0.5273 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5602 1.2054 -1.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0226 1.3849 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 2.5766 -1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9509 2.8397 -0.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7304 1.5790 -0.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8257 1.6221 -0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4584 2.5894 0.7127 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8315 2.2693 0.8918 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.2007 2.0971 2.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8667 0.9064 2.4742 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5932 0.0923 1.3909 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.8546 -0.5940 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6424 -0.8328 1.7724 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3974 -0.3816 1.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6372 0.3940 0.1005 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.5191 -0.4917 -1.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0733 -0.8429 -1.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2637 0.3922 -1.5521 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7892 0.1191 -1.4594 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3351 -0.6367 -2.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3608 -0.6784 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -0.2170 0.3663 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3714 0.6370 1.4639 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0329 0.9211 0.2913 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3712 -1.4066 0.3747 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9105 -1.2443 0.8020 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9305 -0.1210 1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8714 -1.1222 -0.3113 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8047 -0.1080 -0.1574 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1238 -0.5274 -0.0551 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5422 -0.2619 1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 -0.6511 1.4252 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4945 -0.7417 2.7073 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8386 -2.0310 3.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8039 0.3749 0.6094 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7459 -0.2844 -0.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0603 0.1049 0.1312 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8510 -1.1312 0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3179 -1.0378 0.2955 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9012 -1.0113 1.5824 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 -2.1287 1.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8072 0.1101 -0.4887 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8483 0.7481 0.2417 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8330 1.1761 -0.8430 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8651 2.2201 0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5437 0.6796 -1.0497 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8346 1.0435 -0.3661 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6135 1.7870 -1.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9418 0.1729 -0.8973 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5671 -2.0419 -4.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8484 -3.1817 -3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1407 -3.6200 -3.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 -0.7749 -2.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4896 0.9456 -1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5353 -0.1131 -2.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8787 0.5318 0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 1.0739 0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4712 0.7024 -2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1064 2.2207 -1.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 3.4597 -1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3912 3.4381 -1.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0329 3.3738 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4037 3.0680 0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3512 2.2175 3.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9134 2.9244 2.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7564 -0.0327 1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8721 -1.6686 1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8543 -0.5619 -0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7992 -1.2975 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8595 0.1799 2.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8692 0.0044 -2.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1134 -1.4046 -0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0374 -1.4989 -2.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6600 -1.4738 -0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4349 0.6277 -2.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0044 -1.4575 -2.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 -1.1188 -2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1935 0.0445 -3.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3139 -1.7607 -0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1635 -0.5550 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6388 -1.1243 0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 1.0071 1.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6335 0.9219 -0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -2.1692 1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8364 -0.1070 2.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0929 -0.3159 2.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7455 0.8687 1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5041 -2.0624 -0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2069 -1.6402 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3849 0.7820 1.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0153 -0.9911 2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0767 -1.6118 0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -2.7144 2.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5767 -2.4522 2.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1885 -2.1302 4.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2824 1.0782 1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0431 0.8451 0.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5722 -1.5532 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4691 -1.9139 -0.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6733 -1.9760 -0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4996 -2.0975 0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1276 -3.0600 1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1033 -2.1001 2.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3455 -0.2338 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5719 1.0446 -0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1437 1.6632 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8968 2.7141 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1122 1.7736 1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7165 2.9053 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2999 1.8171 0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4041 2.4153 -1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0464 1.0443 -2.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8975 2.4578 -1.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 48 47 1 0 47 46 1 0 46 45 1 0 45 44 1 0 44 43 1 0 43 42 1 0 42 54 1 0 54 55 1 0 54 56 1 0 56 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 37 36 1 0 36 35 1 0 35 33 1 0 33 34 1 0 33 32 1 0 32 5 1 0 5 4 1 0 4 3 1 0 3 2 1 0 2 1 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 6 18 20 1 0 20 21 1 0 22 21 1 1 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 6 26 28 1 0 28 29 1 0 29 30 1 0 22 31 1 0 44 53 1 0 53 51 1 0 51 52 1 0 51 49 1 0 49 50 1 0 49 46 1 0 39 42 1 0 3 35 1 0 29 7 1 0 26 9 1 0 25 12 1 0 22 13 1 0 31 15 1 0 31 18 1 0 48108 1 0 48109 1 0 48110 1 0 46107 1 6 45105 1 0 45106 1 0 44104 1 1 42103 1 1 54117 1 1 55118 1 0 55119 1 0 55120 1 0 37 96 1 6 38 97 1 0 38 98 1 0 39 99 1 6 41100 1 0 41101 1 0 41102 1 0 35 95 1 6 33 91 1 1 34 92 1 0 34 93 1 0 34 94 1 0 5 63 1 1 4 61 1 0 4 62 1 0 3 60 1 6 1 57 1 0 1 58 1 0 1 59 1 0 7 64 1 1 8 65 1 0 8 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 15 70 1 6 16 71 1 0 16 72 1 0 19 73 1 0 19 74 1 0 19 75 1 0 21 76 1 0 21 77 1 0 23 78 1 0 23 79 1 0 24 80 1 0 24 81 1 0 25 82 1 6 27 83 1 0 27 84 1 0 27 85 1 0 28 86 1 0 28 87 1 0 29 88 1 1 30 89 1 0 31 90 1 6 51113 1 6 52114 1 0 52115 1 0 52116 1 0 49111 1 6 50112 1 0 M END