RDKit 3D 111115 0 0 0 0 0 0 0 0999 V2000 4.0165 3.6500 -1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4351 2.3814 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8888 2.5369 0.9336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3566 1.2582 -1.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7517 -0.0522 -0.5167 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7049 -0.4135 0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3862 -0.4942 -0.2591 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4848 -1.5756 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1944 -0.5323 0.5680 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1309 0.5436 1.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2881 0.4381 2.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0039 -0.5452 1.2273 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8213 -1.8982 1.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3826 -0.1087 0.9240 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3706 -0.4558 2.0267 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9581 0.1314 3.2256 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7112 0.0143 1.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1710 -0.3812 0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1909 -1.2689 -0.2868 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7508 -1.6957 -1.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2078 -1.9066 -1.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1191 -1.1140 -0.8483 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1858 -0.5002 -1.5719 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5162 -0.7334 -1.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8629 -1.5499 -0.4732 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5309 -0.0007 -2.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4568 0.6778 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3301 0.5627 -0.0104 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4894 1.4596 -1.7206 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4927 -0.0099 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3676 0.1896 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6123 1.2670 -0.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9362 -0.3795 -0.4169 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5171 0.9283 -0.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4928 1.9528 -0.2885 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0266 -0.8445 -1.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6189 -1.2149 -1.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 -0.3101 -0.0245 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2681 1.0976 -0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0253 0.0710 -0.0577 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0104 -0.6720 -0.6478 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6518 -1.5371 0.2194 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6751 -1.0230 0.9486 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2523 -0.0456 2.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3984 -0.5872 2.9519 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7678 -0.3837 0.1148 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0020 -1.0291 0.2638 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3403 -0.3260 -1.3496 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1538 0.5624 -2.0542 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9527 0.2960 -1.3336 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5469 0.4683 -2.6425 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1735 3.5322 -2.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4901 4.5304 -0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9047 3.8017 -1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5873 1.7969 1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4249 3.5358 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 2.6788 1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 1.2922 -2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7762 -0.7801 -1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7061 0.3220 1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8492 -1.4090 0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3508 0.4667 -0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3745 -1.2596 -2.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 -2.3807 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4643 -2.1541 -1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1805 -1.4957 1.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 1.5542 1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8754 0.3016 2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 0.0643 3.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8056 1.4160 2.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4331 -2.6768 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0728 -1.8960 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 -2.3699 2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3277 1.0279 1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4762 -1.5380 2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7959 0.4125 3.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2705 0.6479 2.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0018 -2.1374 0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2707 -2.7019 -1.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3665 -0.9875 -2.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4488 -3.0112 -1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4833 -1.6841 -2.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6386 -1.8001 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1296 -0.7192 -2.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0188 0.7275 -2.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9115 2.1889 -1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3274 -0.6604 1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4038 0.3151 0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1321 1.1743 1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3276 1.2128 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7293 1.4819 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2162 2.1641 -0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9649 0.9306 -1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9619 -0.1586 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4598 -1.7776 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 -2.2901 -0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -1.0644 -1.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 1.1883 -1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7742 1.8042 0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7653 1.5321 -0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5927 -1.3094 -1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1598 -1.8771 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1438 0.3434 2.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7987 0.8540 1.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5238 -0.1607 2.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9317 0.6760 0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1645 -1.0566 1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2810 -1.3160 -1.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1084 0.5066 -1.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9664 1.2990 -0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1318 -0.0057 -3.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 7 6 1 0 6 5 1 0 5 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 43 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 5 4 1 0 4 2 2 3 2 1 1 0 2 3 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 1 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 29 1 0 27 28 2 0 22 30 1 0 30 31 1 0 30 32 1 0 19 33 1 0 33 36 1 0 36 37 1 0 37 38 1 0 38 39 1 6 33 34 1 6 34 35 2 0 50 41 1 0 38 9 1 0 38 12 1 0 33 14 1 0 30 18 1 0 8 63 1 0 8 64 1 0 8 65 1 0 7 62 1 6 6 60 1 0 6 61 1 0 5 59 1 6 41101 1 6 43102 1 1 44103 1 0 44104 1 0 45105 1 0 46106 1 1 47107 1 0 48108 1 6 49109 1 0 50110 1 1 51111 1 0 4 58 1 0 1 52 1 0 1 53 1 0 1 54 1 0 3 55 1 0 3 56 1 0 3 57 1 0 9 66 1 1 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 13 71 1 0 13 72 1 0 13 73 1 0 14 74 1 6 15 75 1 1 16 76 1 0 17 77 1 0 19 78 1 1 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 1 26 84 1 0 26 85 1 0 29 86 1 0 31 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 32 92 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 39 98 1 0 39 99 1 0 39100 1 0 34 93 1 0 M END