RDKit 3D 80 86 0 0 0 0 0 0 0 0999 V2000 2.5569 5.2836 -0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1804 3.9043 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6977 3.3475 -1.6462 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2488 3.1887 0.0737 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8923 1.8768 -0.2604 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5799 1.8192 -0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2237 0.7320 0.0459 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3371 0.0124 -0.5900 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4757 1.0163 -0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6392 0.2688 -1.3153 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4537 -0.8332 -2.1117 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9948 -0.9920 -0.7775 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4304 -1.3511 -0.6787 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9129 -1.7093 -1.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8058 -2.3748 0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0175 -2.7597 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7108 -2.1254 1.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1894 -1.9471 2.5119 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0487 -1.7121 0.0990 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6883 -3.0289 -0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8017 -1.0130 0.4539 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6468 -1.9692 0.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -1.2048 1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0134 -0.1696 0.3351 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4742 -0.7766 -0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8454 0.9159 0.8872 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9619 0.7450 1.7727 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1593 2.1966 2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3195 0.3572 1.4005 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5087 -1.0144 0.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3456 -1.0808 -0.4136 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8676 -2.0625 -1.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7701 -1.4302 -0.0609 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4367 -0.1890 -0.5330 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8876 0.2762 -1.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3149 0.9612 0.4810 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8182 0.5469 1.7117 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9561 1.2345 0.5194 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9874 5.7938 -1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2565 5.2760 0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6645 5.8966 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4661 1.5773 -1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0566 2.8277 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6745 1.6199 -1.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5456 1.0639 1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1735 -0.4459 -1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7281 1.4514 0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 1.7780 -1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4589 0.9453 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9839 -0.3922 -0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8737 -1.9765 -1.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7712 -2.8426 0.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3161 -3.5375 1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3468 -3.7825 0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9917 -2.8421 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6225 -3.4266 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -0.4366 1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3923 -2.5949 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0051 -2.6438 1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 -0.8172 2.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3368 -1.9609 1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3372 -1.8551 -0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4972 -0.4480 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1743 -0.3907 -1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0649 1.4594 1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6369 0.1758 2.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9578 2.7112 1.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5216 2.0729 3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1874 2.6922 2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9952 0.4053 2.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -1.5013 0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.7006 1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -2.4177 -1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 -1.5336 -2.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 -2.9562 -1.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4753 -0.5304 -2.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9517 0.3787 -2.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4180 1.2497 -1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8549 1.8517 0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7637 0.8665 1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 28 27 1 0 27 26 1 0 26 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 12 11 1 6 12 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 6 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 6 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 6 31 33 1 0 33 34 1 0 34 35 1 6 34 36 1 0 36 37 1 0 36 38 1 0 24 26 1 0 38 29 1 0 24 7 1 0 34 31 1 0 21 8 1 0 12 10 1 0 19 12 1 0 28 67 1 0 28 68 1 0 28 69 1 0 27 66 1 1 26 65 1 1 5 42 1 6 6 43 1 0 6 44 1 0 7 45 1 1 8 46 1 6 9 47 1 0 9 48 1 0 10 49 1 6 13 50 1 1 14 51 1 0 15 52 1 0 16 53 1 0 20 54 1 0 20 55 1 0 20 56 1 0 21 57 1 1 22 58 1 0 22 59 1 0 23 60 1 0 23 61 1 0 25 62 1 0 25 63 1 0 25 64 1 0 1 39 1 0 1 40 1 0 1 41 1 0 29 70 1 1 30 71 1 0 30 72 1 0 32 73 1 0 32 74 1 0 32 75 1 0 35 76 1 0 35 77 1 0 35 78 1 0 36 79 1 6 37 80 1 0 M END