RDKit 3D 77 81 0 0 0 0 0 0 0 0999 V2000 2.2049 4.7850 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2671 3.7451 -0.4177 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7513 3.2926 0.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1941 3.8872 1.8283 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2337 2.2023 0.8837 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5275 2.0128 2.2575 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7326 0.6818 2.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8238 0.0089 1.1099 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1641 0.3088 0.5390 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6044 1.7114 0.8238 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6864 2.0832 2.1387 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5074 2.6051 0.2137 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5029 2.5589 -1.1547 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1996 -0.7411 0.7398 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8691 -0.7209 2.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 -0.5911 -0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2062 0.2936 -1.1298 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3803 -1.5585 -0.2390 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0464 -1.5181 -1.4871 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9517 -2.9503 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5084 -3.2031 0.2268 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0432 -4.0663 -0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5782 -2.0705 0.4179 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4557 -2.4022 1.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3747 -1.3838 1.0918 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0947 -1.6891 -0.2124 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1329 -0.7667 -1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2366 -1.0164 -2.4262 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 0.5782 -0.8598 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0771 0.3531 -0.9775 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 1.0073 -1.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2691 1.8189 -2.6289 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2822 0.7236 -1.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8866 -0.1263 -1.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1429 -0.8831 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3675 -0.3934 -1.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0319 -0.0824 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0068 0.4363 -2.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2841 0.8649 0.5041 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1812 4.4667 -0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7937 5.5947 -1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4129 5.2488 0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5011 0.3811 3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 0.2817 2.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 0.3254 -0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5323 1.9648 0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 2.6768 2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7592 3.6315 0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0635 3.2593 -1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2752 -1.2194 2.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1188 0.2726 2.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8281 -1.2783 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1677 -1.2523 0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0121 -1.5700 -1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3794 -3.6237 -0.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5084 -3.3377 1.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3402 -3.8979 1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5159 -5.0521 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4046 -3.4933 -1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9467 -4.0835 -1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0569 -1.9024 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 -3.3949 1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 -2.4848 2.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4816 -1.5135 1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4248 1.3400 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9147 1.2474 -2.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7836 -1.5707 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -0.1770 0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -1.5559 -0.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5525 -1.4593 -1.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0494 -0.5403 0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5089 -0.5898 0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0494 0.9879 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8436 1.5079 -2.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0669 0.1773 -2.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 0.1593 -3.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 0.6780 1.1859 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 5 3 1 1 5 6 1 0 6 7 1 0 8 7 1 1 8 39 1 0 39 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 2 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 29 27 1 0 27 28 2 0 27 26 1 0 26 25 1 0 25 24 1 0 24 23 1 0 23 21 1 0 21 22 1 0 21 20 1 0 20 18 1 0 18 19 1 0 18 16 1 0 16 17 2 0 16 14 1 0 14 15 1 1 14 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 39 5 1 0 14 23 1 0 12 5 1 0 25 8 1 0 9 8 1 0 1 40 1 0 1 41 1 0 1 42 1 0 7 43 1 0 7 44 1 0 39 77 1 1 29 65 1 6 33 66 1 0 35 67 1 0 35 68 1 0 35 69 1 0 36 70 1 0 37 71 1 0 37 72 1 0 37 73 1 0 38 74 1 0 38 75 1 0 38 76 1 0 25 64 1 1 24 62 1 0 24 63 1 0 23 61 1 6 21 57 1 1 22 58 1 0 22 59 1 0 22 60 1 0 20 55 1 0 20 56 1 0 18 53 1 1 19 54 1 0 15 50 1 0 15 51 1 0 15 52 1 0 9 45 1 6 10 46 1 6 11 47 1 0 12 48 1 6 13 49 1 0 M END