RDKit 3D 113112 0 0 0 0 0 0 0 0999 V2000 12.9904 6.1134 -1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8077 5.2229 0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9484 4.0575 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4011 2.8326 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5654 1.6454 -0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2236 2.1024 -0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1634 1.7553 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8237 2.1947 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7724 1.8398 0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3896 2.2566 -0.1189 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3158 3.6331 0.0807 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3818 1.5310 0.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 0.0487 0.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2791 -0.4720 -0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9036 -0.2399 -1.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8176 -0.8753 -0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9512 -2.3468 -0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8901 -2.9941 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4842 -2.8514 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7874 -2.2113 -0.9953 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5162 -3.4557 0.7285 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8573 -3.3489 0.3085 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7204 -2.8850 1.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3508 -1.6369 1.9165 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4193 -0.5167 1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -0.6889 -0.0731 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0133 0.7699 1.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2767 1.8979 0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7505 2.0116 0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9669 3.1636 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3950 3.3585 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2361 3.6394 0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6699 3.8616 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0223 4.9986 -0.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7648 6.3537 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3745 6.7149 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6897 6.5314 0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2639 -4.7805 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -5.1412 -1.1329 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7685 -6.7195 -1.6588 P 0 0 2 0 0 5 0 0 0 0 0 0 -1.7917 -7.1730 -2.7099 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3348 -6.6706 -2.2889 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7487 -7.7953 -0.3677 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8025 -9.0863 -0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7899 -10.1287 0.2341 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8765 -9.9820 1.0959 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8136 -11.4941 -0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9737 -11.6717 -1.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9070 5.7916 -1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1569 7.1696 -0.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1127 6.0132 -1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2971 5.8351 0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7540 4.8819 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9241 4.2545 -0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4419 2.7155 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4819 0.9814 0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9840 1.0458 -1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1295 2.7141 -1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2788 1.1400 0.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6955 2.8027 -1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9581 1.2243 1.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1237 2.0151 -1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7032 3.8891 0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6341 1.7859 1.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 1.9351 0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8811 -0.5068 1.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5612 -0.2190 0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5096 -1.5486 -0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9923 0.0054 -1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8881 -0.6603 -2.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6821 0.8392 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7596 -0.4370 0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8617 -0.6307 -0.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9203 -2.5735 0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 -2.8796 -1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 -2.5009 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 -4.0579 0.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8847 -2.7154 -0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7365 -3.6368 2.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7589 -2.8138 1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 0.9461 2.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9453 0.7712 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8775 2.8641 1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7214 1.6848 -0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1868 1.0977 0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3245 2.2606 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5394 4.0711 -0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3929 2.9467 -1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5504 4.0848 -1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7630 2.3707 -1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2252 2.7024 0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7858 4.4027 0.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1238 2.8996 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2087 3.9750 0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1463 4.9447 -1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5910 4.9011 -1.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1966 7.1037 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2788 7.8357 -0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6565 6.1725 -0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2074 6.6777 1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9810 7.5861 0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1972 6.1567 1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5910 5.9493 0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1717 -5.4670 0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2816 -4.7722 -0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9609 -6.7244 -1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -9.2418 -1.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9523 -9.3117 -1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8512 -10.0281 0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7466 -9.1611 1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7515 -12.2886 0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9664 -11.5713 -1.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6721 -11.0664 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 22 38 1 0 38 39 1 0 40 39 1 1 40 41 2 0 40 42 1 0 40 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 9 61 1 0 10 62 1 6 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 22 78 1 6 23 79 1 0 23 80 1 0 27 81 1 0 27 82 1 0 28 83 1 0 28 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 42106 1 0 44107 1 0 44108 1 0 45109 1 1 46110 1 0 47111 1 0 47112 1 0 48113 1 0 M END