RDKit 3D 82 85 0 0 0 0 0 0 0 0999 V2000 4.0666 -2.2648 0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2015 -1.0079 0.5527 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8005 0.0072 -0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2344 0.2488 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7286 -0.3291 0.9374 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0952 1.1846 -0.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4752 1.2450 -0.1988 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0707 -0.1684 -0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3464 2.2226 -0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 3.1655 -0.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6597 2.1518 -2.1945 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8119 -1.3855 0.2156 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3906 -2.5233 1.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0814 -2.3792 1.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8959 -3.2408 0.9032 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3154 -0.9329 1.2024 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0197 -0.5988 2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6646 -0.4673 0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0168 0.3166 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0998 0.4296 -1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4413 0.9741 -2.2513 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2669 -0.0823 -1.0837 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3567 -1.2690 -1.8478 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7572 -0.3337 0.3256 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1672 0.9542 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2996 1.0318 -0.0351 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0914 2.1793 0.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6445 1.7253 -1.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0016 2.3786 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 1.3720 -0.8413 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9675 1.2865 -1.9044 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5637 0.0130 -0.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2960 -0.8831 -1.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6745 -0.6573 0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3938 0.1528 0.4636 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9218 -1.2107 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7434 -0.9028 1.8633 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4050 -1.9881 2.6406 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4433 -2.6560 1.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9126 -2.1105 -0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4749 -3.0971 -0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3521 -0.7088 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8729 -0.4716 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2253 0.9113 -0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1812 0.7586 -1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 2.1727 -0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3927 1.4782 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0325 -0.6754 0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5217 -0.7961 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1251 -0.1293 -0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3887 2.7137 -2.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8419 -1.8868 -0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7214 -3.5040 0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 -2.2876 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1593 -1.5120 3.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0646 -0.3089 2.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6314 0.1783 3.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9344 0.6474 -1.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8363 -1.1248 -2.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1486 1.7903 0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0858 0.9381 1.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 1.3024 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 2.3326 1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2391 1.9831 1.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8825 3.1380 0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7542 1.0684 -2.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9341 2.5703 -1.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2244 2.9221 -2.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9473 3.1314 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6846 1.7427 0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5081 0.4594 -1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6112 -0.3898 -2.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2485 -1.2308 -1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9069 -1.8340 -1.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6283 -1.7493 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6715 -0.2502 0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5501 -0.3905 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8558 0.6038 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7455 -1.6983 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5052 -1.8136 0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0643 -0.0766 2.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2075 -2.5553 2.7843 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 11 1 0 9 10 2 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 1 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 1 19 26 1 0 26 27 1 1 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 24 12 1 0 35 26 1 0 24 16 1 0 37 18 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 1 3 43 1 0 3 44 1 0 6 45 1 0 6 46 1 0 7 47 1 1 8 48 1 0 8 49 1 0 8 50 1 0 11 51 1 0 12 52 1 6 13 53 1 0 13 54 1 0 17 55 1 0 17 56 1 0 17 57 1 0 22 58 1 6 23 59 1 0 25 60 1 0 25 61 1 0 25 62 1 0 27 63 1 0 27 64 1 0 27 65 1 0 28 66 1 0 28 67 1 0 29 68 1 0 29 69 1 0 30 70 1 1 31 71 1 0 33 72 1 0 33 73 1 0 33 74 1 0 34 75 1 0 34 76 1 0 34 77 1 0 35 78 1 1 36 79 1 0 36 80 1 0 37 81 1 1 38 82 1 0 M END