RDKit 3D 98100 0 0 0 0 0 0 0 0999 V2000 7.5054 1.6408 0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1656 0.7988 1.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7234 0.2358 1.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 -0.6028 0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2478 -1.1882 0.2301 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9817 -2.0238 1.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -2.8722 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -3.8011 0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3508 -4.5846 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1065 -3.9134 -0.2146 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7119 -4.9084 -1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2466 -2.6369 -0.9689 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7390 -2.7893 -2.2787 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0411 -1.8378 -0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0476 -1.9038 -1.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2394 -1.1234 -1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0668 -1.4660 -2.8002 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4551 -0.2424 -0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4537 -0.1681 0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3506 0.6211 1.5377 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2804 -0.9624 0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6697 0.6398 -0.5485 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7642 0.1518 0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3931 -0.0280 1.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5603 -0.5112 2.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6869 0.4881 2.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0091 -0.1143 3.6401 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.4607 2.1324 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2147 2.5996 -1.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4929 3.7286 -0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0768 3.2637 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 3.8701 -1.0536 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6139 5.0267 -1.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 2.7848 -1.9554 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8905 3.5367 -3.0606 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4205 1.7922 -1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2282 0.9852 -2.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1431 0.0212 -1.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7993 -0.6056 -2.8026 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -0.1764 -0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4786 0.6278 0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3567 0.7074 1.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 1.5953 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3920 2.2500 0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6351 2.3051 0.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6908 0.9889 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8532 -0.0440 1.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2677 1.4577 2.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0055 1.0493 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6985 -0.4757 2.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3849 -1.4438 0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 -0.0180 -0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3797 -2.1075 -0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8691 -2.7252 1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 -1.4039 2.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8536 -2.2867 1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -3.5314 2.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4367 -4.5837 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7662 -3.2708 -0.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5244 -5.4792 -0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1679 -5.0056 1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -3.6810 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8036 -4.7146 -0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4643 -4.8290 -2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4749 -5.9522 -0.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -2.1354 -0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -3.6555 -2.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -2.5641 -2.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8085 -2.1112 -3.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5538 0.5292 2.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -0.7148 1.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2499 0.7520 -1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6258 0.8407 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1313 -0.8302 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5835 -0.7842 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0181 0.9221 2.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2365 -0.6012 3.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8836 -1.5135 2.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0826 0.5984 1.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3882 1.4796 2.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3335 2.4321 0.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3015 2.7331 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5233 2.9705 -2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5538 1.7228 -1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0274 3.9163 0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5394 4.6690 -0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8379 3.5300 0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0085 2.1559 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7717 4.2563 -0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3829 4.7505 -2.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2673 5.3761 -2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8733 5.8478 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4897 2.2963 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7975 3.8742 -2.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 0.9114 -3.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5761 -0.3381 -3.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7451 1.3218 2.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0465 2.0758 0.8547 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 10 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 18 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 22 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 38 40 2 0 40 41 1 0 41 42 1 0 41 43 2 0 40 5 1 0 21 14 1 0 43 36 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 6 6 54 1 0 6 55 1 0 7 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 9 61 1 0 10 62 1 1 11 63 1 0 11 64 1 0 11 65 1 0 12 66 1 1 13 67 1 0 15 68 1 0 17 69 1 0 20 70 1 0 21 71 1 0 22 72 1 6 23 73 1 0 23 74 1 0 24 75 1 0 24 76 1 0 25 77 1 0 25 78 1 0 26 79 1 0 26 80 1 0 28 81 1 0 28 82 1 0 29 83 1 0 29 84 1 0 30 85 1 0 30 86 1 0 31 87 1 0 31 88 1 0 32 89 1 1 33 90 1 0 33 91 1 0 33 92 1 0 34 93 1 6 35 94 1 0 37 95 1 0 39 96 1 0 42 97 1 0 43 98 1 0 M END