RDKit 3D 96100 0 0 0 0 0 0 0 0999 V2000 -4.8028 0.1293 -2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3605 -0.0524 -2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6056 -0.3010 -3.0752 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 0.0375 -0.8581 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3952 -0.1407 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2396 0.0442 0.8870 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1093 -1.0072 1.4843 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6714 -0.7310 2.7275 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9728 -0.8070 3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3587 -0.4638 4.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8029 -1.1766 2.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3898 -2.3439 1.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9165 -3.3870 1.2099 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0318 -2.3417 1.8266 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3197 -0.9615 2.5022 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3504 -1.1374 3.3123 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6029 -1.1388 4.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9404 -1.3857 5.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5698 -0.9077 5.2902 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2285 -0.1048 1.3314 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8185 -0.8260 0.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9944 -2.1517 0.6856 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4329 -2.4227 1.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 -3.0971 -0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9754 -2.4690 -1.6871 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 -2.5497 -2.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8476 -2.9899 -3.8872 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9305 -2.2187 -3.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5192 -3.0895 -4.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7973 -2.9143 -4.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5382 -1.8414 -4.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9718 -1.0131 -3.3813 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7135 -1.1732 -2.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3382 -0.1036 -1.9013 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5851 0.7266 -1.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2173 0.7549 -2.3291 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3389 1.1296 -3.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1319 1.9818 -1.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1873 2.7184 -1.6668 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1258 2.2453 -0.7076 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5001 2.2759 0.4911 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9781 2.5223 0.4531 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3331 2.7236 -0.8995 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9498 3.8316 -1.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 4.0178 -2.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2346 4.7689 -0.6187 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7621 1.4121 1.1353 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1272 1.5072 0.6711 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1642 1.9864 1.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5593 2.0611 0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9363 2.3837 2.5851 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8972 1.2334 1.5089 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6884 1.8320 2.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1204 -0.4325 -3.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3774 -0.3074 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0739 1.1907 -2.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8427 0.5047 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 -1.1823 -0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -1.2479 0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6603 0.6026 4.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1899 -1.0915 4.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5152 -0.5905 5.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3326 -3.1513 2.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5332 -0.7653 3.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5628 -1.9641 4.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4617 -0.4391 5.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8546 -1.9618 6.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8799 -1.4741 1.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4274 -3.2181 1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 -2.7783 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3908 -3.9967 -0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2672 -3.4211 -0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 -3.9627 -4.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 -3.6294 -5.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5492 -1.6759 -4.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0817 -0.5664 -0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8574 1.3741 -2.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3747 -0.0769 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4469 1.1934 -0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2731 0.1645 -2.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1752 0.1927 -4.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3614 1.5355 -3.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 1.9279 -4.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8769 3.2464 0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3168 3.4549 0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8973 4.9855 -3.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9154 3.1826 -3.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4282 4.0292 -2.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8264 1.7272 2.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2386 1.3480 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8716 3.1336 1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6089 1.8945 -0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9778 1.0786 1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0782 1.2131 3.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 2.8272 2.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7038 2.0511 3.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 53 52 1 0 52 41 1 0 41 40 1 0 40 38 1 0 38 39 2 0 38 36 1 0 36 37 1 0 36 34 1 0 34 35 1 0 34 33 1 0 33 32 2 0 32 31 1 0 31 30 2 0 30 29 1 0 29 28 2 0 28 26 1 0 26 27 2 0 26 25 1 0 25 24 1 0 24 22 1 0 22 23 1 1 22 21 1 0 20 21 1 6 20 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 15 14 1 0 14 12 1 0 12 13 2 0 12 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 7 6 1 0 6 5 1 6 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 6 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 2 0 47 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 44 46 2 0 20 52 1 0 6 20 1 0 42 41 1 0 28 33 1 0 14 22 1 0 53 94 1 0 53 95 1 0 53 96 1 0 52 93 1 6 41 84 1 1 36 80 1 6 37 81 1 0 37 82 1 0 37 83 1 0 34 76 1 1 35 77 1 0 35 78 1 0 35 79 1 0 31 75 1 0 30 74 1 0 29 73 1 0 24 71 1 0 24 72 1 0 23 68 1 0 23 69 1 0 23 70 1 0 15 64 1 1 18 65 1 0 18 66 1 0 18 67 1 0 14 63 1 1 7 59 1 6 10 60 1 0 10 61 1 0 10 62 1 0 5 57 1 0 5 58 1 0 1 54 1 0 1 55 1 0 1 56 1 0 47 89 1 1 50 90 1 0 50 91 1 0 50 92 1 0 42 85 1 1 45 86 1 0 45 87 1 0 45 88 1 0 M END