RDKit 3D 111118 0 0 0 0 0 0 0 0999 V2000 3.4966 -2.3072 1.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0492 -2.0966 0.0404 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8619 -2.3375 -0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7888 -1.4617 -0.6463 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6446 -1.6177 -1.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5124 -2.5184 -2.2596 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5212 -0.7107 -1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3325 -1.2371 -0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9363 -0.9042 1.0848 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 -2.0147 -0.1695 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2921 -2.5921 0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1919 -1.7711 1.5430 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9959 -2.8547 2.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 -0.9242 2.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5394 0.5303 2.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 1.0050 1.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9569 0.2978 0.2558 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5316 0.1915 -1.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2768 -1.0179 0.8654 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0874 -1.8716 -0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2554 -1.1691 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3377 0.2809 -0.5406 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4596 0.9342 -1.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2771 1.9619 -1.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6978 2.1772 -0.4492 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.0794 2.7364 -0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6334 3.0174 0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2811 2.4202 -0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2930 1.0217 0.2227 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.6800 0.7330 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9874 -3.2710 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1812 -3.1997 0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6277 -1.7894 1.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2220 -0.8481 -0.0912 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7902 -1.3314 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6943 -0.7769 -0.0727 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2521 0.1218 -1.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 1.5180 -0.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 1.5900 -0.6496 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0849 1.7441 -1.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1714 2.4743 -1.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0575 2.9663 -0.1757 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6356 4.3158 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6857 1.9665 0.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1764 0.5658 0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7004 0.5318 0.2941 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5405 2.9271 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1153 -1.3461 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -3.0672 1.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3018 -2.6723 2.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1499 -2.4204 -1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4655 -3.3637 -0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1358 0.2825 -0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -0.5776 -2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6202 -3.2522 1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8598 -3.4214 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8975 -2.3765 2.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3174 -3.2114 3.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1305 -3.7025 1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6343 -1.3223 2.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -1.0060 3.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4582 0.8493 2.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0736 1.1350 3.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1082 2.1093 1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9577 1.0291 0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0242 -0.6073 -1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4296 0.2419 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8787 1.1503 -1.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0116 -0.7869 1.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4791 -2.7265 0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4378 -2.3660 -0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2706 -1.4497 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2166 -1.6137 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9285 0.5803 -2.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5789 2.5409 -2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2151 3.6126 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8062 1.9281 -0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2298 2.9858 0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7094 4.0258 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7118 2.9719 1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5392 3.1029 0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3294 2.5299 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6281 1.0368 1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5254 0.2006 -0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6135 0.7106 1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2352 -3.4694 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 -4.1788 0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0109 -3.6950 1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9870 -3.8152 0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3276 -1.4549 2.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7601 -1.8579 1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6131 -0.6614 -1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1029 -1.4712 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3310 -2.3131 -1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4782 -0.2008 0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5245 -0.2037 -2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1531 0.2274 -1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2386 1.9958 -0.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5474 2.1203 -1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8805 1.3438 -2.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.6469 -2.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5399 4.3296 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8503 4.9238 0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7716 4.8327 -0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5333 2.3211 1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7817 1.9465 0.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7797 0.0416 -0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3582 0.0348 1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2015 0.7509 1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1078 3.7764 -0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2908 2.8904 1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 42 43 1 6 42 47 1 0 47 39 1 0 39 38 1 0 38 37 1 0 37 36 1 0 36 2 1 0 2 1 1 1 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 12 11 1 6 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 6 17 29 1 0 29 28 1 0 28 27 1 0 27 25 1 0 25 26 1 6 25 30 1 0 30 22 1 0 22 21 1 0 21 20 1 0 20 19 1 0 22 23 1 6 23 24 2 0 2 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 6 34 46 1 0 46 45 1 0 45 44 1 0 39 40 1 6 40 41 2 0 44 42 1 0 41 42 1 0 46 39 1 0 34 36 1 0 19 12 1 0 19 17 1 0 22 29 1 0 24 25 1 0 43102 1 0 43103 1 0 43104 1 0 47110 1 0 47111 1 0 38 98 1 0 38 99 1 0 37 96 1 0 37 97 1 0 36 95 1 1 1 48 1 0 1 49 1 0 1 50 1 0 3 51 1 0 3 52 1 0 7 53 1 0 7 54 1 0 11 55 1 0 11 56 1 0 13 57 1 0 13 58 1 0 13 59 1 0 14 60 1 0 14 61 1 0 15 62 1 0 15 63 1 0 16 64 1 0 16 65 1 0 18 66 1 0 18 67 1 0 18 68 1 0 29 83 1 1 28 81 1 0 28 82 1 0 27 79 1 0 27 80 1 0 26 76 1 0 26 77 1 0 26 78 1 0 30 84 1 0 30 85 1 0 21 72 1 0 21 73 1 0 20 70 1 0 20 71 1 0 19 69 1 1 23 74 1 0 24 75 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 35 92 1 0 35 93 1 0 35 94 1 0 46109 1 1 45107 1 0 45108 1 0 44105 1 0 44106 1 0 40100 1 0 41101 1 0 M END