RDKit 3D 95100 0 0 0 0 0 0 0 0999 V2000 4.5988 -0.2974 -3.9834 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4633 -0.6408 -3.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 0.0906 -2.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 1.2572 -2.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0883 1.2457 -1.0485 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5531 1.7802 0.1177 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2773 1.3891 1.2075 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7843 2.2117 2.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 3.5816 2.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7530 1.5587 1.1426 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3351 0.5671 1.9269 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3352 1.4488 -0.2381 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5335 2.1447 -0.3636 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3688 2.0244 -1.2582 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8689 2.0195 -2.5214 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4497 -0.3205 -2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5449 0.3450 -1.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6516 1.6542 -1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2045 2.1828 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2151 1.3842 0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9974 2.0019 1.4036 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0448 1.6519 2.2165 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2547 2.1949 1.7798 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3759 3.5463 1.8808 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1828 4.2914 0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9338 4.0893 0.0081 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 4.1521 2.9763 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0677 5.3515 3.4427 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4017 3.2213 4.1600 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5075 3.8270 5.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7891 1.9336 3.6877 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3903 1.9280 3.9082 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3348 0.0760 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2813 -0.7321 0.6331 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6206 -2.0427 0.3907 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9857 -2.1571 0.1894 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 -3.3788 -0.4247 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7159 -3.3821 -0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4316 -3.2399 0.4369 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9518 -4.4650 0.5921 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2663 -5.7062 0.1072 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5058 -4.3965 1.0268 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3441 -5.2549 2.1086 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -2.9964 1.4821 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7074 -2.7703 2.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4673 -0.4394 -0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0373 -1.4665 -2.8839 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7093 -2.1767 -3.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 -3.3663 -4.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8905 -4.1385 -5.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.3147 -5.6842 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 -3.7437 -5.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6821 -2.5741 -5.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9511 -2.1575 -5.4368 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9685 -1.8126 -4.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 0.1753 -0.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9588 0.3343 1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3661 1.9876 3.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7006 2.0914 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9592 3.7448 1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0999 2.5328 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9157 0.9310 2.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4370 0.3719 -0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7827 2.1729 -1.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1822 3.0835 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8193 2.9275 -2.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4187 2.3034 -1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1091 3.2001 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2123 0.5562 2.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4476 3.7600 2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0112 4.0622 -0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2616 5.4012 0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 4.6945 0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4906 4.3783 2.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 5.3491 3.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3728 3.0032 4.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8618 4.7630 5.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1822 1.1207 4.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2115 2.2256 4.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1242 -2.4601 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 -3.4710 -1.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9357 -2.4866 -1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0383 -4.2833 -1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2171 -3.8752 0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5557 -4.2194 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9984 -6.1741 0.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8272 -4.7205 0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5781 -5.8748 1.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0394 -2.9370 1.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 -2.7846 3.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5148 -1.4681 -1.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2302 -3.6660 -3.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8887 -5.8688 -6.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7233 -4.3427 -6.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4728 -2.7186 -6.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 26 25 1 0 25 24 1 0 24 23 1 0 23 22 1 0 22 21 1 0 21 20 1 0 20 19 2 0 19 18 1 0 18 17 2 0 17 46 1 0 46 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 37 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 17 16 1 0 16 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 2 1 0 2 1 2 0 2 55 1 0 55 53 2 0 53 54 1 0 53 52 1 0 52 50 2 0 50 51 1 0 50 49 1 0 49 48 2 0 48 47 1 0 22 31 1 0 31 32 1 0 31 29 1 0 29 30 1 0 29 27 1 0 27 28 1 0 27 24 1 0 33 20 1 0 44 35 1 0 47 16 1 0 14 5 1 0 48 55 1 0 26 73 1 0 25 71 1 0 25 72 1 0 24 70 1 1 22 69 1 1 19 68 1 0 18 67 1 0 46 91 1 0 35 80 1 6 37 81 1 6 38 82 1 0 38 83 1 0 39 84 1 0 40 85 1 1 41 86 1 0 42 87 1 6 43 88 1 0 44 89 1 1 45 90 1 0 5 56 1 1 7 57 1 1 8 58 1 0 8 59 1 0 9 60 1 0 10 61 1 1 11 62 1 0 12 63 1 6 13 64 1 0 14 65 1 1 15 66 1 0 54 95 1 0 52 94 1 0 51 93 1 0 49 92 1 0 31 78 1 1 32 79 1 0 29 76 1 1 30 77 1 0 27 74 1 6 28 75 1 0 M END