RDKit 3D 115116 0 0 0 0 0 0 0 0999 V2000 7.2347 3.5008 4.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9239 2.7588 3.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5734 1.8558 2.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1272 2.1078 2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6964 1.2071 1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2824 1.3718 0.7429 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7516 0.3391 0.0497 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3203 -0.3210 -0.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 0.0913 -1.9105 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6311 -1.7924 -1.1438 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8589 -2.0457 -1.8888 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0628 -1.4384 -1.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9879 -1.4525 -3.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3361 -1.8505 -3.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4622 -2.5232 -1.5699 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5013 -3.2171 -2.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2764 -2.5548 -0.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -2.4004 -1.3629 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2239 -2.7427 0.6804 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3834 -1.5632 1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0808 -2.1625 2.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5245 -3.5718 2.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -3.3441 1.1812 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1956 -3.6491 0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4244 -4.9336 0.4124 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2892 -2.8307 -0.0032 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5897 -3.6127 0.3848 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7962 -3.5936 1.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7779 -3.0687 -0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9886 -3.9088 -0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3409 -1.5465 0.2765 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9913 -0.3752 0.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7716 -0.2078 1.9794 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7976 0.8784 -0.0661 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9008 1.2315 -0.9856 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1594 0.1354 -2.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1853 1.7124 -0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 0.7779 0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4122 2.0321 0.6987 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9709 2.2010 2.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5367 3.0564 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9675 4.2679 0.3388 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1565 2.8960 -0.2943 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1203 3.6597 -1.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0982 3.1671 -2.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3916 5.1465 -1.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7202 3.4357 0.6699 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 3.4583 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3638 4.1622 2.0685 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9469 2.7575 0.1885 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1158 3.6400 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5129 4.1323 5.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6757 0.8023 2.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1933 2.1171 1.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5491 1.7246 3.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8767 3.1503 2.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4289 1.1973 0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7828 0.1536 1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6849 1.3732 1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8148 -2.1654 -0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0935 -3.1174 -1.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9896 -1.9971 -1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8308 -1.5453 -0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2004 -0.3922 -1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1691 -1.5863 -3.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0669 -0.3269 -3.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1089 -1.0780 -3.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2560 -2.1079 -4.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6640 -2.7679 -3.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0799 -2.6075 -3.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8352 -4.1403 -2.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5058 -3.6337 -3.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0652 -3.4607 1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 -0.6762 1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4855 -1.3702 1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9372 -1.6434 3.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7276 -2.1634 3.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -4.0235 3.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -4.2622 2.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3402 -2.9601 -1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4813 -4.6689 0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4484 -4.5235 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3914 -2.6829 2.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9065 -3.5404 2.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9030 -2.0067 -0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5578 -3.1796 -1.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6179 -4.9584 0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5492 -3.5371 0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6444 -3.9133 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9114 0.6148 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5139 2.0962 -1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3999 -0.6689 -1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2329 0.5676 -3.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1362 -0.3532 -1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0776 2.6854 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9184 1.9439 -1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7412 0.2256 -0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5362 1.4178 1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3406 0.1331 1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2756 1.8609 2.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0626 3.3149 2.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9244 1.7004 2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0057 1.8337 -0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9195 3.6432 -2.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6622 3.3773 -3.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 2.0705 -2.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0689 3.7360 -2.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1404 5.4945 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2065 5.7679 -2.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4535 5.4141 -1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 4.0795 2.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5297 2.5184 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 4.5706 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0213 4.0627 -1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 3.1375 -0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 30 29 1 0 29 27 1 0 27 28 1 0 27 26 1 0 26 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 34 39 1 0 39 40 1 0 39 41 1 0 41 42 2 0 41 43 1 0 43 47 1 0 47 48 2 0 48 49 1 0 48 50 1 0 50 51 1 0 50 6 1 0 6 5 1 0 5 4 1 0 4 3 1 0 3 2 1 0 2 1 3 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 10 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 43 44 1 0 44 45 1 0 44 46 1 0 24 26 1 0 23 19 1 0 30 87 1 0 30 88 1 0 30 89 1 0 29 85 1 0 29 86 1 0 27 81 1 6 28 82 1 0 28 83 1 0 28 84 1 0 26 80 1 6 34 90 1 6 35 91 1 6 36 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 38 99 1 0 40100 1 0 40101 1 0 40102 1 0 43103 1 6 49111 1 0 50112 1 6 51113 1 0 51114 1 0 51115 1 0 6 59 1 1 5 57 1 0 5 58 1 0 4 55 1 0 4 56 1 0 3 53 1 0 3 54 1 0 1 52 1 0 10 60 1 1 11 61 1 6 12 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 13 66 1 0 14 67 1 0 14 68 1 0 14 69 1 0 16 70 1 0 16 71 1 0 16 72 1 0 19 73 1 1 20 74 1 0 20 75 1 0 21 76 1 0 21 77 1 0 22 78 1 0 22 79 1 0 44104 1 0 45105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 46110 1 0 M END