RDKit 3D 99104 0 0 0 0 0 0 0 0999 V2000 -7.7424 4.2835 0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9756 3.0566 0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1397 3.0315 -0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9798 4.2578 -1.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3974 1.7470 -0.7509 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8686 0.7895 0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9432 2.1085 -0.6283 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8174 3.1627 -1.6111 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9821 0.9933 -1.0696 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0262 -0.1135 -0.0755 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6369 0.1647 1.1211 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5039 -1.4417 -0.5895 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0136 -1.7550 -1.8547 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1372 -2.5825 0.3386 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3952 -3.8637 -0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7332 -2.5259 0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1248 -3.8313 1.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2265 -3.9703 0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2478 -4.7056 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4198 -3.7989 1.5799 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6656 -4.1328 1.0669 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8112 -3.0481 0.4496 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6869 -3.4413 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6199 -1.7736 0.6511 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1629 -1.6441 2.0203 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6822 -0.6592 2.8356 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8908 -0.4028 2.2640 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0710 0.4670 1.0876 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4284 1.9050 1.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3506 2.8087 0.2599 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4970 3.7930 0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5195 2.0485 -1.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5948 0.8951 -1.2119 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6462 1.0364 -2.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9233 0.5818 0.1366 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0099 -0.5784 0.0612 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5879 -0.2803 0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4117 -0.9126 1.7879 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 0.4479 -0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3854 1.8737 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.9528 0.1422 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1281 2.0429 0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 1.6505 -1.1337 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 1.0947 -1.9691 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0559 0.0124 -1.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0527 -0.9839 -2.2018 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1321 4.2323 1.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0245 5.1452 0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6030 4.4197 0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1379 2.1773 1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8315 4.0712 -2.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1711 4.9284 -0.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9223 4.8746 -1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6453 1.5232 -1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5449 0.2449 -0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6949 2.5582 0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8447 2.7341 -2.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2657 0.7234 -2.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9404 -0.3167 0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 -0.5988 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6094 -1.4360 -0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3406 -2.4501 -1.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8642 -2.5975 1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0954 -3.6734 -1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9332 -4.6119 0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4767 -4.2586 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1044 -2.1107 0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6729 -1.8487 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7165 -4.7275 0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8538 -3.8404 2.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0749 -4.5616 -0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5665 -2.9733 0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7601 -5.0395 2.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5735 -5.6611 0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 -3.3201 2.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7526 -3.4483 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3581 -4.4913 -1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1485 -2.7098 -1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5377 -1.9745 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6286 -2.5569 2.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7593 -0.3990 2.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9853 0.0834 0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3912 1.9162 1.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6338 2.2447 2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4161 3.4107 0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0367 3.8839 -0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1495 4.8014 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2486 3.4643 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2890 2.7859 -1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 1.7913 -1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2491 -0.0095 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4517 0.0273 -2.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1844 1.5878 -3.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6856 1.4989 -2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2978 1.4871 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8646 -0.7802 -1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6796 -1.5081 2.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3968 3.0939 0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4355 1.4343 0.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 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 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 6 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 2 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 43 9 1 0 22 20 1 0 36 24 1 0 45 39 1 0 27 25 1 0 35 28 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 4 51 1 0 4 52 1 0 4 53 1 0 5 54 1 6 6 55 1 0 7 56 1 1 8 57 1 0 9 58 1 6 10 59 1 1 11 60 1 0 12 61 1 6 13 62 1 0 14 63 1 1 15 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 16 68 1 0 17 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 1 23 76 1 0 23 77 1 0 23 78 1 0 24 79 1 6 25 80 1 1 27 81 1 1 28 82 1 6 29 83 1 0 29 84 1 0 30 85 1 6 31 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 6 34 92 1 0 34 93 1 0 34 94 1 0 35 95 1 1 36 96 1 6 38 97 1 0 42 98 1 0 42 99 1 0 M END