RDKit 3D 100104 0 0 0 0 0 0 0 0999 V2000 -3.4141 -4.9074 1.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1094 -4.7919 0.7994 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -3.7275 -0.0231 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7351 -2.8357 0.4979 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8627 -1.5351 0.0722 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9768 -0.7045 1.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1393 0.7497 0.7962 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2653 1.5351 1.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 2.7462 1.5256 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9180 2.5197 0.7033 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0681 3.0867 1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2337 2.8203 0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5139 1.3892 0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9114 0.7049 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1809 -0.6275 -1.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0400 -1.3145 -0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3158 -2.6644 -0.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6289 -0.5808 0.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4943 -1.2281 1.6417 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3732 0.7590 0.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 3.4998 0.8540 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1910 4.4189 1.8002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3706 2.6820 0.2386 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4750 2.7608 1.1151 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5572 3.4151 0.5641 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5882 2.4498 0.4848 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9896 2.2136 1.8007 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4521 0.8117 2.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0226 3.2589 2.1349 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3334 3.2978 3.4803 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 4.5907 1.6340 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1010 4.9422 0.4134 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0142 4.5873 1.4156 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7048 5.8087 0.7879 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 1.2523 -0.0499 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1361 0.4075 -0.0042 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6364 -0.2708 -1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0231 -0.1033 -2.1756 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8033 -1.1063 -0.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3026 -1.7619 -1.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4773 -2.6237 -1.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9066 -3.2556 -3.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0011 -4.0773 -3.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7031 -4.2948 -1.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8293 -5.1443 -1.8461 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2899 -3.6750 -0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9563 -3.8593 0.5182 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1671 -2.8384 -0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3772 -3.4101 -0.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0661 -3.5705 -1.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3142 -4.1738 -1.3627 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1784 -5.5590 -1.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1825 -3.6440 -2.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4419 -4.2144 -2.3943 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8061 -4.0568 1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4487 -5.7854 1.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1096 -5.2132 0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7847 -3.1753 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7481 -2.8512 1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8328 -1.0675 1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0055 -0.8347 1.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1276 0.8304 0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1912 3.3509 2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2967 2.5612 2.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 4.1858 1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1153 3.3116 -0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1684 3.2883 0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2311 1.2515 -1.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6955 -1.1530 -1.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8612 -3.1460 -1.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9282 -0.7216 2.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8709 1.2703 1.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2093 4.1772 0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8176 4.6109 2.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7074 3.1954 -0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3952 3.7741 -0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1159 2.4009 2.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 0.1661 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9149 0.7476 3.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0763 0.3927 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9407 3.0316 1.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5986 3.6586 4.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7242 5.4134 2.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9628 4.4646 0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 4.4906 2.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8943 5.6391 -0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3493 1.2134 -1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2619 -1.1880 0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 -1.6501 -2.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -3.1166 -3.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3652 -4.5870 -3.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3852 -5.3519 -1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7585 -4.4394 0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8611 -2.3636 0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0123 -2.6408 -1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8113 -4.2516 -1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9304 -5.8600 -2.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6829 -3.8581 -3.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2366 -2.5400 -2.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0364 -3.8460 -3.1031 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 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 2 0 9 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 23 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 45 1 0 44 46 1 0 46 47 1 0 46 48 2 0 4 49 1 0 49 50 1 0 50 51 1 0 51 52 1 1 51 53 1 0 53 54 1 0 51 3 1 0 35 7 1 0 48 41 1 0 20 13 1 0 33 25 1 0 1 55 1 0 1 56 1 0 1 57 1 0 3 58 1 6 4 59 1 1 6 60 1 0 6 61 1 0 7 62 1 6 9 63 1 1 11 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 14 68 1 0 15 69 1 0 17 70 1 0 19 71 1 0 20 72 1 0 21 73 1 6 22 74 1 0 23 75 1 6 25 76 1 6 27 77 1 1 28 78 1 0 28 79 1 0 28 80 1 0 29 81 1 6 30 82 1 0 31 83 1 1 32 84 1 0 33 85 1 1 34 86 1 0 35 87 1 6 39 88 1 0 40 89 1 0 42 90 1 0 43 91 1 0 45 92 1 0 47 93 1 0 48 94 1 0 50 95 1 0 50 96 1 0 52 97 1 0 53 98 1 0 53 99 1 0 54100 1 0 M END