RDKit 3D 154153 0 0 0 0 0 0 0 0999 V2000 19.0934 -0.9582 -0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9812 -1.4728 0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4001 -0.2562 1.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3057 -0.5865 2.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0909 -1.2341 1.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2221 -0.4922 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9126 -0.1473 -0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0471 1.0809 -0.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4926 2.2399 -0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5034 2.9037 -1.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5025 1.7732 -1.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4492 2.2778 -2.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5058 1.1952 -2.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7860 0.5414 -1.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9899 0.7025 -0.5721 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7528 -0.3693 -2.1441 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9344 -1.1529 -1.3031 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8545 -0.3606 -0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2246 0.6782 -0.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5155 -0.7233 -0.6817 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3794 -0.0846 -0.0700 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1646 1.3186 -0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2684 2.1176 -0.5597 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1527 -0.8608 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -1.8393 -1.1742 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9364 -0.5977 0.2333 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6619 -1.2641 0.0611 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3733 -2.2567 1.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 -1.6196 2.4161 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3964 -0.2254 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0545 0.9551 -0.2135 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7306 -0.5822 0.0866 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8765 0.3239 0.0027 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3788 1.6842 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3257 2.8208 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3062 2.7950 1.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3553 3.7278 1.4867 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1775 1.9657 2.4197 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9595 -0.2606 0.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7019 -0.9454 1.8227 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3133 -0.1342 0.4127 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3829 -0.7270 1.1614 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8720 -2.0533 0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4628 -2.4225 -0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6544 -2.2591 -1.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4290 -2.6728 -2.9003 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4315 -3.9421 -3.3599 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2177 -1.7074 -3.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3706 -0.3079 -3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8452 -2.0864 -4.5963 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4084 0.2139 1.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0727 1.2626 2.2652 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8125 0.0520 1.5226 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8456 0.9188 1.9978 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.6829 2.3216 1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7829 2.1837 -0.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1765 0.3845 1.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2327 -0.6450 0.8905 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3425 1.0162 2.0632 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.6760 0.4958 1.6635 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.9307 0.8606 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1503 0.5115 -0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4831 1.0030 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1358 0.7625 1.1174 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.8952 -0.3982 1.1883 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.1161 1.5416 2.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9532 1.0938 3.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4561 2.5669 2.4147 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7355 -0.9225 2.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8252 -1.4917 2.6255 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.8292 -1.6867 1.6355 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5237 -2.4420 -1.8906 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7531 -2.3855 -3.0236 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9966 -3.4149 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 -3.4700 0.2169 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9198 -4.2140 -1.1038 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4577 -1.7300 -1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6712 -0.1423 -1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9301 -0.5569 0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2617 -1.9762 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3279 -2.1881 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2730 0.0822 1.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2698 0.5769 0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7278 -1.1655 3.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9967 0.3924 2.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2826 -2.2861 1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4381 -1.4539 2.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7877 0.3487 1.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3128 -1.1723 0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3619 -0.9678 -1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5823 1.3119 -1.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2833 2.9863 -0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9311 2.0729 0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9279 3.6976 -0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0852 3.1643 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1248 1.4111 -0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0220 0.9082 -2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9660 3.1472 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9650 2.6085 -3.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8252 1.4809 -3.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1317 0.3673 -3.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5692 -0.4677 -3.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5971 -1.4091 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2983 -1.6061 -1.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5664 0.1393 0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0033 1.1912 -1.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2548 1.7762 -0.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2885 2.5153 0.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8974 0.2258 0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7277 -1.8689 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2104 -2.9896 1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5887 -2.7675 1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1489 -0.7312 2.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -1.5965 0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0642 0.3954 -1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 1.9837 -0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8022 1.6900 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7034 3.7494 0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 2.9433 -0.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3862 4.5610 2.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1298 3.5992 0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5547 0.4238 -0.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 -0.9678 2.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9409 -2.7483 0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5188 -2.4515 1.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5382 -2.1768 -0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5437 -3.5852 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2219 -1.3016 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7741 -3.0019 -1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3957 -4.2338 -3.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7099 -0.0015 -2.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4458 -0.1059 -2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1463 0.3377 -4.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1279 -0.8038 1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8154 1.1752 3.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7518 2.7924 1.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5269 2.9674 1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2210 2.8388 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3431 1.8655 2.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3717 1.0860 2.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0146 0.4567 -0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7543 1.9858 0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9886 0.8546 -1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2145 -0.6256 -0.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1636 0.7206 -0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4492 2.1494 -0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2936 -0.6138 0.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4003 1.4563 4.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9508 1.5207 3.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9419 -0.0194 3.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7170 -2.3345 0.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4822 -2.9904 -2.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6686 -1.4328 -3.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2483 -4.0496 -1.8245 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 7 8 2 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 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 27 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 2 0 33 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 48 50 2 0 42 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 54 57 1 0 57 58 2 0 57 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 64 66 1 0 66 67 1 0 66 68 2 0 60 69 1 0 69 70 2 0 69 71 1 0 17 72 1 0 72 73 1 0 72 74 1 0 74 75 2 0 74 76 1 0 1 77 1 0 1 78 1 0 1 79 1 0 2 80 1 0 2 81 1 0 3 82 1 0 3 83 1 0 4 84 1 0 4 85 1 0 5 86 1 0 5 87 1 0 6 88 1 0 6 89 1 0 7 90 1 0 8 91 1 0 9 92 1 0 9 93 1 0 10 94 1 0 10 95 1 0 11 96 1 0 11 97 1 0 12 98 1 0 12 99 1 0 13100 1 0 13101 1 0 16102 1 0 17103 1 1 20104 1 0 21105 1 1 22106 1 0 22107 1 0 23108 1 0 26109 1 0 27110 1 6 28111 1 0 28112 1 0 29113 1 0 32114 1 0 33115 1 6 34116 1 0 34117 1 0 35118 1 0 35119 1 0 37120 1 0 37121 1 0 41122 1 0 42123 1 1 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 47130 1 0 49131 1 0 49132 1 0 49133 1 0 53134 1 0 54135 1 1 55136 1 0 55137 1 0 56138 1 0 59139 1 0 60140 1 1 61141 1 0 61142 1 0 62143 1 0 62144 1 0 63145 1 0 63146 1 0 65147 1 0 67148 1 0 67149 1 0 67150 1 0 71151 1 0 72152 1 6 73153 1 0 76154 1 0 M END