RDKit 3D 121125 0 0 0 0 0 0 0 0999 V2000 10.1937 3.0504 0.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1555 2.7412 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6564 1.3057 -0.3464 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0775 1.0617 1.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 -0.2209 1.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 -0.7599 0.6462 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1464 -2.1734 1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0299 0.0105 0.9478 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1472 1.4282 0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7942 1.7632 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9054 0.7591 0.4517 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5554 0.6296 -0.1097 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7291 1.8090 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 1.5363 0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3056 0.3847 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7871 0.3539 0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 -1.0001 0.2885 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5945 -0.9220 -0.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7163 -1.2268 0.3412 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2823 -2.3428 -0.1739 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2340 -2.2071 -1.1373 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7810 -1.6821 -2.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2186 -0.4121 -2.4129 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7306 0.2861 -3.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1645 1.6393 -3.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7695 -0.2152 -4.6098 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3800 -1.4323 -0.5384 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.8707 -2.2242 0.5294 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1819 -2.6948 0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6398 -3.5107 1.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8751 -2.3804 -0.4725 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9736 -0.1051 0.0035 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1992 0.8595 -1.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1443 1.8407 -0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3125 2.8102 -2.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8501 1.8746 0.1377 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5970 -0.0361 0.5642 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6494 0.3495 1.9253 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1433 1.5395 2.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2009 1.9392 3.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6089 2.3183 1.5758 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5134 -2.1120 -0.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1606 -1.9894 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4851 -0.7867 -0.2096 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4412 -1.0540 -1.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 -0.6026 0.4265 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7186 -1.8289 0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0238 -1.5262 1.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7821 -0.5015 0.3387 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8796 -0.8243 -1.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9238 0.4734 -0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4226 0.9983 -1.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6547 -0.9803 -0.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7844 2.9476 1.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1406 2.5132 0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4520 4.1518 0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2664 3.3983 -0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4643 3.0640 -1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0080 1.1751 -1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5037 1.9248 1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0148 1.1060 1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2914 -1.0169 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1875 -0.1733 2.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 -0.9631 -0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7055 -2.8796 0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6872 -2.1120 2.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1915 -2.5135 1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8716 0.0110 2.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8767 1.6135 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1868 2.1543 1.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8535 1.7044 -1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 2.7822 0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8302 0.9933 1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4904 0.7078 -1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 2.0743 1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9737 2.6704 -0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 2.4089 0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 0.9413 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1563 0.9336 -0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6538 -1.2846 1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3023 -1.4832 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6420 -3.2443 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0165 -2.3820 -2.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6022 -1.6819 -3.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7210 2.1767 -2.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0713 2.2512 -4.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 1.4884 -2.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1951 -1.2951 -1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1243 -2.9148 2.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7563 -4.0131 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3045 -4.3597 1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7192 0.1430 0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6529 3.6879 -1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9808 2.3450 -2.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3488 3.2000 -2.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0814 0.8280 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8274 2.8363 3.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5693 1.1141 4.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1357 2.1261 4.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -3.0767 0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -2.1087 -1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2885 -1.8830 1.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6054 -2.9310 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 -2.1631 -1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -0.7039 -2.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3524 -0.6025 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -0.3842 1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9238 -2.2178 -0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2127 -2.6116 1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7496 -1.0492 2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5107 -2.4599 1.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6311 -0.1739 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1182 -1.9146 -1.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9279 -0.6570 -1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6813 0.6050 0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5598 1.2817 -2.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1252 1.8062 -1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9632 0.2002 -2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6095 -1.1977 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1237 -1.6020 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2073 -1.3224 -1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 42 1 0 42 43 1 0 43 44 1 0 44 45 1 6 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 6 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 2 0 21 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 2 0 27 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 2 0 32 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 2 0 3 51 1 0 51 52 1 0 51 53 1 0 49 8 1 0 37 19 1 0 49 11 1 0 46 12 1 0 44 15 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 6 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 6 7 65 1 0 7 66 1 0 7 67 1 0 8 68 1 1 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 1 12 74 1 6 13 75 1 0 13 76 1 0 14 77 1 0 16 78 1 0 16 79 1 0 17 80 1 1 42100 1 0 42101 1 0 43102 1 0 43103 1 0 45104 1 0 45105 1 0 45106 1 0 46107 1 1 47108 1 0 47109 1 0 48110 1 0 48111 1 0 50112 1 0 50113 1 0 50114 1 0 19 81 1 1 21 82 1 6 22 83 1 0 22 84 1 0 25 85 1 0 25 86 1 0 25 87 1 0 27 88 1 6 30 89 1 0 30 90 1 0 30 91 1 0 32 92 1 1 35 93 1 0 35 94 1 0 35 95 1 0 37 96 1 6 40 97 1 0 40 98 1 0 40 99 1 0 51115 1 0 52116 1 0 52117 1 0 52118 1 0 53119 1 0 53120 1 0 53121 1 0 M END