RDKit 3D 82 86 0 0 0 0 0 0 0 0999 V2000 2.3597 2.2847 -0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1469 1.4358 -0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 0.0494 -0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3541 -0.4945 -0.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4508 -1.0363 0.2256 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5331 -0.1313 0.0881 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5200 -0.5953 0.9548 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5404 0.4881 1.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5324 0.0686 2.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2363 -1.6981 0.2023 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9889 -1.0319 -0.7957 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2962 -2.6597 -0.4147 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6820 -2.8438 -1.7653 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8477 -2.4000 -0.2950 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2285 -3.3973 0.4943 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -0.7085 -0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2401 -2.1820 -0.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8523 -2.9330 -1.1019 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0893 -0.1201 -1.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2601 -0.8688 -1.5314 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3013 -0.9681 -0.5395 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9369 -1.8748 0.4019 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 -2.4232 1.2195 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5526 -3.9238 1.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4579 -4.5467 2.1868 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2919 -2.2006 0.9132 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0369 -3.2553 1.4508 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4545 -2.2671 -0.5888 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0954 -3.5053 -1.0828 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5741 -1.2242 -1.2369 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4111 -1.5016 -2.6021 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1623 1.2238 -1.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 1.9940 -1.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2022 3.3694 -1.3817 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3478 4.0232 -0.8868 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0405 4.6797 0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8616 4.6028 1.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5342 5.2431 2.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3669 5.9700 2.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 6.0413 1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1174 5.4032 0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5239 3.0836 -0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2896 2.0378 -1.9311 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3967 1.4128 -2.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7713 2.0645 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0343 3.3465 -0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 2.2050 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4173 -1.1698 1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0745 -0.9975 1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0652 1.3985 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0279 0.7223 0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2911 0.0759 3.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0014 -2.1899 0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3241 -1.6559 -1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5172 -3.6709 0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 -3.0035 -2.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4021 -2.5030 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -4.1247 -0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0407 -2.4529 -1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6725 -2.4707 0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9384 -2.9362 -2.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2461 0.0354 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6776 -2.0214 2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5505 -3.9863 1.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4646 -4.3984 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6506 -5.4844 1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6042 -1.2250 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2242 -3.0286 2.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5328 -2.1152 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4732 -3.5657 -2.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1941 -0.2792 -1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7506 -2.2217 -2.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6165 4.7909 -1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 4.0432 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1865 5.1784 3.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1174 6.4663 3.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 6.6191 1.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 5.4884 -0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4413 2.5107 0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4954 3.5684 -0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9197 2.6893 -2.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7022 1.6782 -3.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 3 16 1 0 16 17 1 0 17 18 1 0 16 19 2 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 23 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 19 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 42 1 0 42 43 1 0 43 44 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 33 2 1 0 41 36 1 0 14 5 1 0 30 21 1 0 43 32 1 0 1 45 1 0 1 46 1 0 1 47 1 0 5 48 1 1 7 49 1 1 8 50 1 0 8 51 1 0 9 52 1 0 10 53 1 1 11 54 1 0 12 55 1 1 13 56 1 0 14 57 1 6 15 58 1 0 17 59 1 0 17 60 1 0 18 61 1 0 21 62 1 1 23 63 1 1 24 64 1 0 24 65 1 0 25 66 1 0 26 67 1 1 27 68 1 0 28 69 1 1 29 70 1 0 30 71 1 6 31 72 1 0 35 73 1 6 42 79 1 0 42 80 1 0 43 81 1 6 44 82 1 0 37 74 1 0 38 75 1 0 39 76 1 0 40 77 1 0 41 78 1 0 M END