RDKit 3D 81 81 0 0 0 0 0 0 0 0999 V2000 8.4529 -2.7163 -0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5900 -2.9782 -2.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2866 -3.6662 -1.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4609 -2.8428 -0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1164 -1.4867 -1.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2768 -0.7280 -0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8881 -1.3251 0.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8689 0.5779 -0.6156 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0082 1.3093 0.3159 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7568 1.7171 -0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9184 2.1897 -1.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5426 1.5334 0.2365 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 1.8642 -0.3486 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6650 1.9504 -1.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 2.2590 -2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7116 3.7552 -1.9758 S 0 0 1 0 0 6 0 0 0 0 0 0 -4.2040 4.0559 -2.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 3.6776 -0.5308 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7927 4.9308 -2.1714 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7353 1.0352 0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2514 0.4117 1.3705 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0504 0.7004 0.0666 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7373 -0.2904 1.0558 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9590 0.4377 1.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8017 -0.1412 2.4843 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4013 -1.4617 2.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9791 -0.0842 3.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7061 -1.5033 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -1.6342 -0.3163 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5472 -2.6478 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0897 -4.0375 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7846 -2.6482 -0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6666 -2.7021 -1.5014 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7802 2.4515 0.9027 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9098 3.2234 1.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8789 1.7953 1.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4251 -2.3293 -1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6908 -3.6892 -0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9727 -2.0058 -0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1408 -3.6902 -2.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4757 -2.0532 -2.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7648 -3.9319 -2.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5864 -4.5931 -1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0479 -2.5927 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5452 -3.3493 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5649 -1.6626 -2.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0871 -0.9513 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1765 1.1039 -1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7469 0.6182 1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5066 1.1408 1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8286 2.9974 -0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0302 2.9038 -2.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0853 1.1734 -2.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5848 2.5362 -3.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6498 1.4776 -2.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0918 3.8170 -3.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0495 3.4151 -2.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5432 5.1178 -2.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6488 1.0298 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9992 -0.3225 1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5810 0.7149 0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 1.4810 1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6474 0.5948 2.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0561 -1.6152 1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7486 -2.3449 2.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0860 -1.5455 3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7027 -0.2610 4.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2787 -0.9581 3.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4741 0.8733 3.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5684 -4.8269 -0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4688 -4.1581 1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9811 -4.0912 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4050 -1.7211 -0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4133 -3.5427 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2552 3.0829 0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0186 2.7946 2.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1905 4.3161 1.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8228 3.1759 1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 2.5465 2.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3946 1.0867 1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3734 1.2564 2.5669 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 16 15 1 6 16 17 1 0 16 18 2 0 16 19 2 0 13 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 23 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 9 34 1 0 34 35 1 0 34 36 1 0 33 30 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 0 2 41 1 0 3 42 1 0 3 43 1 0 4 44 1 0 4 45 1 0 5 46 1 0 5 47 1 0 8 48 1 0 9 49 1 1 12 50 1 0 13 51 1 1 14 52 1 0 14 53 1 0 15 54 1 0 15 55 1 0 17 56 1 0 17 57 1 0 17 58 1 0 22 59 1 0 23 60 1 1 24 61 1 0 24 62 1 0 25 63 1 1 26 64 1 0 26 65 1 0 26 66 1 0 27 67 1 0 27 68 1 0 27 69 1 0 31 70 1 0 31 71 1 0 31 72 1 0 32 73 1 0 32 74 1 0 34 75 1 6 35 76 1 0 35 77 1 0 35 78 1 0 36 79 1 0 36 80 1 0 36 81 1 0 M END