RDKit 3D 85 85 0 0 0 0 0 0 0 0999 V2000 -1.4219 -2.8088 -2.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3531 -1.4692 -1.5292 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1818 -1.2581 -0.3602 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0470 0.1164 0.1979 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7567 0.4199 0.6157 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1911 1.4612 -0.0685 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1730 1.1549 -0.6428 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8772 0.4612 0.3103 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 -0.6849 -0.1357 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9817 -0.6762 -0.0147 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5865 -0.6362 -1.2742 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4452 -1.9586 0.6431 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8425 -2.0906 0.5551 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8586 -3.0995 -0.1873 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5066 -4.2923 0.0229 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -3.1783 0.1281 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2399 -4.0500 1.2061 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8249 -1.8432 0.5510 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8796 -1.7558 1.9295 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 2.4657 -0.6553 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6138 2.7568 0.7259 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0673 4.1667 1.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1448 2.5587 0.9510 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0595 2.1592 2.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6568 3.8080 0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4786 4.2369 -0.6532 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 0.3190 1.2379 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2527 0.3681 0.8093 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5791 1.8570 0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8878 1.9872 0.2016 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4589 -0.2800 -0.5187 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3719 0.5958 -1.6003 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6157 -1.4942 -0.7560 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1262 -2.6245 -0.1095 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5573 -1.3056 0.6928 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0272 -0.2889 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3403 -0.2625 -0.2633 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7844 0.8938 -0.1892 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -0.1337 0.0506 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2824 0.4388 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4828 1.6469 0.1296 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -0.4155 -0.5259 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1012 -3.4486 -1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8781 -2.7668 -3.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4181 -3.2216 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4363 -0.7247 -2.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8807 -1.9700 0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2789 0.8381 -0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9009 1.8460 -0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1728 0.7124 -1.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -0.7685 -1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3767 0.2017 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6436 0.3132 -1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1883 -2.0260 1.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1045 -2.1941 -0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9525 -2.7996 -1.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3719 -4.0783 0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -3.5968 -0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1187 -4.9649 0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7537 -1.8435 0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7777 -2.6015 2.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1847 2.0592 1.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1188 4.2700 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4728 4.8905 0.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1256 4.3236 2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4379 2.7595 2.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7172 3.6094 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3232 4.5860 1.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6253 5.2055 -0.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9203 -0.0774 1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9205 2.2318 -0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4003 2.4203 1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9953 2.6236 -0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5306 -0.6421 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0058 0.1228 -2.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6506 -1.7319 -1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1069 -2.6642 -0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5728 -1.2544 0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 -0.9003 -0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9347 0.4490 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5831 0.9041 -0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4821 1.7648 0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5837 -0.3086 -0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3352 -0.3804 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8347 -0.8476 0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 37 36 1 0 36 38 1 0 36 35 2 3 39 40 1 0 40 42 1 0 40 41 2 0 1 2 1 0 2 3 1 0 3 33 1 0 33 34 1 0 33 31 1 0 31 32 1 0 31 28 1 0 28 29 1 0 29 30 1 0 28 27 1 0 27 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 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 7 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 1 23 25 1 0 25 26 1 0 4 3 1 0 23 6 1 0 18 9 1 0 37 79 1 0 37 80 1 0 38 81 1 0 38 82 1 0 35 78 1 0 39 83 1 0 39 84 1 0 42 85 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 3 47 1 1 33 76 1 6 34 77 1 0 31 74 1 1 32 75 1 0 28 70 1 1 29 71 1 0 29 72 1 0 30 73 1 0 4 48 1 6 6 49 1 6 7 50 1 6 9 51 1 6 10 52 1 1 11 53 1 0 12 54 1 1 13 55 1 0 14 56 1 6 15 57 1 0 16 58 1 6 17 59 1 0 18 60 1 1 19 61 1 0 21 62 1 1 22 63 1 0 22 64 1 0 22 65 1 0 24 66 1 0 25 67 1 0 25 68 1 0 26 69 1 0 M END