RDKit 3D 83 86 0 0 0 0 0 0 0 0999 V2000 9.0720 2.9374 1.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1546 2.2209 0.9506 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4498 0.9544 0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5387 0.4167 0.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4263 0.2890 -0.3884 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2233 1.1627 -1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2015 0.0941 0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1055 -0.5698 -0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3303 -0.8673 -1.5165 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8288 -0.8500 0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8545 -1.4394 -0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0381 -1.8512 -1.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5773 -1.7283 0.2859 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4844 -1.1524 1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 -1.1052 1.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5227 -0.7288 2.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 -1.6024 0.7499 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7117 -3.1030 0.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 -1.1165 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2337 -0.3700 -0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3358 -0.4120 -1.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 0.1968 -2.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1093 -1.2917 -1.6208 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5516 -2.5571 -1.9823 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3591 -1.0889 -0.2734 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4874 0.4120 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3889 0.5561 -0.6867 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8275 1.9345 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9581 0.5449 -2.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4426 0.6086 -2.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1339 1.3583 -1.0795 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1137 2.7389 -1.3459 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6536 1.0182 0.3028 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7611 0.1887 0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5034 2.2592 1.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4577 0.1256 0.2542 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9510 -0.2299 1.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 -1.4830 1.3830 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7044 -2.0575 2.5683 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9748 3.2013 1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5548 3.8506 2.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3895 2.2744 2.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8560 -0.6866 -0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 0.5757 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2398 1.5721 -1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5257 1.9836 -1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4591 -0.5407 1.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8759 1.0738 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6779 -0.5743 1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1784 -1.0249 -2.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -2.5288 -1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 -2.5590 -2.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5041 -2.8454 0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9044 -1.8283 2.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8899 -0.1284 1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2887 -3.6534 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 -3.4273 1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7592 -3.4536 0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6114 -0.9961 -2.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5597 -2.6797 -2.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 0.6616 -0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0029 0.9867 -0.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1619 0.7124 0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5307 2.7527 -0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0677 2.1059 -1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2757 1.9696 0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5007 1.3708 -2.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6848 -0.4260 -2.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8780 -0.4332 -2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7077 1.0745 -3.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2333 1.0960 -1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7668 2.9568 -2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7012 0.3177 2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6328 -0.8712 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7396 0.5312 0.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2897 2.3569 1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5503 2.3749 1.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6520 3.2053 0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8429 -0.8586 -0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2864 0.5111 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8043 -0.4872 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8065 -2.2030 0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2666 -1.7224 3.3351 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 3 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 1 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 1 20 27 1 0 27 28 1 1 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 1 33 35 1 0 33 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 25 13 1 0 36 27 1 0 25 17 1 0 38 19 1 0 1 40 1 0 1 41 1 0 1 42 1 0 5 43 1 6 6 44 1 0 6 45 1 0 6 46 1 0 7 47 1 0 7 48 1 0 10 49 1 0 12 50 1 0 12 51 1 0 12 52 1 0 13 53 1 1 14 54 1 0 14 55 1 0 18 56 1 0 18 57 1 0 18 58 1 0 23 59 1 6 24 60 1 0 26 61 1 0 26 62 1 0 26 63 1 0 28 64 1 0 28 65 1 0 28 66 1 0 29 67 1 0 29 68 1 0 30 69 1 0 30 70 1 0 31 71 1 1 32 72 1 0 34 73 1 0 34 74 1 0 34 75 1 0 35 76 1 0 35 77 1 0 35 78 1 0 36 79 1 6 37 80 1 0 37 81 1 0 38 82 1 6 39 83 1 0 M END