RDKit 3D 70 76 0 0 0 0 0 0 0 0999 V2000 0.8627 2.5994 4.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 1.7093 3.9883 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8932 1.2259 2.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3416 1.5643 2.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8037 1.0200 1.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0265 0.1140 0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2064 -0.2246 0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 0.3186 2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9754 -0.0592 2.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9092 -0.1513 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 -1.2105 0.4140 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1686 -1.0621 -0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2866 -0.2598 -0.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0017 -0.1145 -2.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6005 -0.7920 -3.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4951 -1.5949 -3.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7912 -1.7265 -2.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0102 -1.1224 0.1884 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 -0.3590 -0.8259 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8048 -1.2566 -0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1093 -0.8042 -0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2096 -1.6742 -0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0016 -3.0151 -0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -3.8953 -0.5956 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7289 -3.5145 -0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -4.9607 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6759 -2.6201 -0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4174 -3.1772 -0.2876 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0461 -3.3237 1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3493 0.5421 -1.1172 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2662 1.4350 -0.7741 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7479 2.7784 -1.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3155 3.5832 -2.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8525 4.8430 -2.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8518 5.3371 -1.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2974 4.5228 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7607 3.2668 -0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0218 1.3222 0.6258 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0986 0.9397 -1.5478 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0538 1.8139 -1.6923 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5525 3.4780 5.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0864 3.0057 4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7736 2.1697 5.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9484 2.2624 2.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8911 -1.0657 3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3837 0.6310 3.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -0.4570 1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9001 0.8105 0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6735 -2.1960 0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6406 0.2914 -0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8866 0.5406 -2.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1398 -0.6921 -4.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1512 -2.1375 -4.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9119 -2.3695 -1.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -0.8413 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1916 -1.2529 -1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0027 -3.4991 -0.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 -5.3474 -0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3856 -5.4818 -0.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6469 -5.1954 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0405 -3.4772 1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5223 -4.2681 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -2.4683 1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5513 3.2579 -2.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 5.4899 -3.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2815 6.3243 -1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0797 4.9176 0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1416 2.6642 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 0.5974 -2.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2101 2.2917 -0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 19 1 0 19 39 1 0 39 40 1 0 39 31 1 0 31 30 1 0 30 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 27 20 2 0 31 38 1 0 31 32 1 1 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 18 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 8 3 1 0 17 12 1 0 38 5 1 0 37 32 1 0 18 7 1 0 20 19 1 0 20 21 1 0 1 41 1 0 1 42 1 0 1 43 1 0 4 44 1 0 19 55 1 6 39 69 1 6 40 70 1 0 22 56 1 0 24 57 1 0 26 58 1 0 26 59 1 0 26 60 1 0 29 61 1 0 29 62 1 0 29 63 1 0 33 64 1 0 34 65 1 0 35 66 1 0 36 67 1 0 37 68 1 0 9 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 11 49 1 1 13 50 1 0 14 51 1 0 15 52 1 0 16 53 1 0 17 54 1 0 M END