RDKit 3D 95100 0 0 0 0 0 0 0 0999 V2000 1.0419 -1.6390 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1771 -0.7553 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5277 0.6028 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8647 0.9089 0.1175 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6213 0.9015 1.3096 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9518 2.2000 1.7107 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3607 2.1742 3.0487 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5315 3.6295 3.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9359 3.6465 4.8199 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 1.4451 3.1362 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5474 2.0193 2.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 0.0185 2.6407 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6427 -0.6332 2.7189 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9412 0.1788 1.1930 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9199 -1.0171 0.5448 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8344 -0.9939 -0.5097 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1871 -1.2383 -1.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1549 -1.0493 -2.7222 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4527 -0.8419 -4.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3612 -0.6441 -5.0803 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0801 -2.2550 -2.7715 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3865 -1.9369 -3.0645 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0224 -3.0120 -1.4549 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9738 -3.9201 -1.4989 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8534 -2.0620 -0.2878 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0878 -1.4703 0.0408 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 1.5323 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2357 2.9541 0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9299 3.5986 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0446 4.9629 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 5.7787 0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1924 7.1407 0.4876 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1718 5.1472 0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2513 5.8837 1.1255 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2809 3.7666 0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 1.1285 0.0646 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0983 -0.1174 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4455 -0.4855 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8765 -1.7845 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1787 -2.2130 -0.0952 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3335 -1.4144 -0.0730 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1497 -1.6599 0.9986 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4572 -1.9273 0.7887 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.7590 -3.4350 0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4135 -4.0585 1.9196 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1360 -1.2007 -0.3191 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.9155 -0.1231 0.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2456 -0.7166 -1.4004 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8613 -0.6500 -2.6504 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9992 -1.5345 -1.4221 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1175 -0.9036 -2.3324 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8778 -2.7543 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -2.4449 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5396 -3.4047 -0.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1512 -1.1054 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9409 0.4323 2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6263 1.6480 3.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3898 4.0566 2.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 4.2091 3.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8795 3.9190 4.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1021 1.4674 4.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1380 2.6758 1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -0.4351 3.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5980 -1.2095 3.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6715 0.9080 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3562 -0.0068 -0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7782 -0.1659 -2.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8401 -1.7364 -4.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7475 0.0110 -4.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2742 -0.4935 -4.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 -2.9281 -3.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9873 -2.6290 -2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9971 -3.5237 -1.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3004 -4.7949 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5353 -2.6831 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5067 -1.9897 0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 3.0265 -0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9978 5.4397 -0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5269 7.7546 0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2112 6.8694 1.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2068 3.3009 0.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1439 0.3140 0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0135 -0.3565 0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9961 -1.6080 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8777 -3.5692 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3345 -3.9125 -0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4414 -4.0505 2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8814 -1.9086 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0172 -0.1564 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9490 0.3471 -1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7198 -0.2012 -2.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1203 -2.5519 -1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4476 -1.4982 -2.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1444 -3.8137 -0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8172 -4.3744 -0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 20 19 1 0 19 18 1 0 18 17 1 0 17 16 1 0 16 15 1 0 15 14 1 0 14 12 1 0 12 13 1 0 12 10 1 0 10 11 1 0 10 7 1 0 7 8 1 0 8 9 1 0 7 6 1 0 6 5 1 0 5 4 1 0 4 3 1 0 3 27 2 0 27 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 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 39 52 2 0 52 53 1 0 53 54 1 0 53 55 2 0 55 2 1 0 2 1 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 2 0 16 25 1 0 25 26 1 0 25 23 1 0 23 24 1 0 23 21 1 0 21 22 1 0 21 18 1 0 5 14 1 0 2 3 1 0 35 28 1 0 55 37 1 0 50 41 1 0 20 70 1 0 19 68 1 0 19 69 1 0 18 67 1 1 16 66 1 6 14 65 1 6 12 63 1 1 13 64 1 0 10 61 1 1 11 62 1 0 7 57 1 1 8 58 1 0 8 59 1 0 9 60 1 0 5 56 1 1 38 82 1 0 41 83 1 1 43 84 1 1 44 85 1 0 44 86 1 0 45 87 1 0 46 88 1 6 47 89 1 0 48 90 1 1 49 91 1 0 50 92 1 6 51 93 1 0 52 94 1 0 54 95 1 0 29 77 1 0 30 78 1 0 32 79 1 0 34 80 1 0 35 81 1 0 25 75 1 1 26 76 1 0 23 73 1 1 24 74 1 0 21 71 1 6 22 72 1 0 M END