RDKit 3D 99104 0 0 0 0 0 0 0 0999 V2000 -10.9435 -3.1141 -1.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5432 -2.7769 0.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8840 -2.0078 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6159 -1.5430 0.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9820 -0.7849 1.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6504 -0.2666 1.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9389 0.4623 2.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5890 0.9327 2.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9133 1.6328 2.9219 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9667 0.6505 0.9253 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7007 1.0898 0.5488 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9482 1.9775 -0.6864 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9255 2.8910 -0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 1.1282 -1.9268 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2593 1.4785 -2.5665 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1863 -0.3388 -1.6057 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2753 -1.0906 -2.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5402 -2.0938 -3.0402 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1345 -0.7372 -3.9046 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2793 -0.8336 -0.7252 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7051 0.0599 0.1476 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6922 0.7118 -0.5547 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4309 0.5654 -0.0494 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4863 -0.0141 -1.1292 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8014 0.3000 -0.8246 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8126 -0.5602 -0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6111 -1.8716 -0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -2.6827 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3953 -3.9916 0.5772 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9398 -2.1692 0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0012 -2.9202 0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8632 -4.1279 1.2085 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2391 -2.2829 1.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3805 -0.9483 0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6854 -0.3188 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7739 -1.0008 1.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0309 -0.4010 1.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1328 -1.1286 2.0588 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9419 -2.4927 2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1271 0.9308 1.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3864 1.5349 1.4252 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0467 1.6453 0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2462 2.9870 0.5137 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1921 3.8149 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8272 1.0384 0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3350 -0.2727 0.4128 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1296 -0.8124 0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 -0.0375 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0995 0.4764 -2.3799 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 1.8627 -2.3794 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8677 2.3392 -3.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9073 3.5909 -3.6671 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 1.4607 -4.3514 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5347 2.5416 -1.1663 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1221 3.8933 -1.2153 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1174 1.9884 0.1506 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1799 1.9696 1.0529 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6324 -0.5018 3.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9193 -0.9886 3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5903 -1.7491 2.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8863 -2.2307 2.4891 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3852 -2.3143 -1.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2270 -3.9577 -0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7588 -3.4750 -1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0844 -1.7712 -0.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1644 -0.4940 0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3614 0.7184 3.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2532 1.7069 1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8665 2.5804 -0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2573 3.6665 -1.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2599 1.3561 -2.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9884 1.3057 -1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2017 -0.4674 -1.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5380 -1.4459 -4.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2198 -0.4548 0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3141 -0.0407 0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -1.0935 -1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6268 -2.3278 -0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8878 -4.7451 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0242 -2.9414 1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7272 -2.0368 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1042 -2.5732 3.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6013 -3.0688 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8666 -2.9227 2.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1907 1.0296 1.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2634 3.6645 0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0059 3.6336 -1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4710 4.8820 0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9618 1.5697 0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2772 1.0283 -0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0112 2.2114 -2.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2888 0.4987 -4.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6637 2.6219 -1.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5782 3.9944 -1.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6905 2.5586 0.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5088 2.9005 1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1802 0.1019 3.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4540 -0.7729 4.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3183 -1.9899 3.3700 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 28 30 2 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 2 0 34 46 1 0 46 47 1 0 47 48 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 37 40 2 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 42 45 2 0 24 49 1 0 49 50 1 0 50 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 50 51 1 0 51 53 1 0 51 52 2 0 21 20 1 0 20 16 1 0 16 14 1 0 14 15 1 0 14 12 1 0 12 13 1 0 16 17 1 0 17 19 1 0 17 18 2 0 5 58 2 0 58 59 1 0 59 60 2 0 60 61 1 0 60 3 1 0 12 11 1 0 56 23 1 0 48 26 1 0 45 35 1 0 47 30 1 0 1 62 1 0 1 63 1 0 1 64 1 0 4 65 1 0 6 66 1 0 7 67 1 0 11 68 1 1 21 75 1 1 23 76 1 1 24 77 1 6 27 78 1 0 29 79 1 0 33 80 1 0 48 90 1 0 36 81 1 0 39 82 1 0 39 83 1 0 39 84 1 0 41 85 1 0 44 86 1 0 44 87 1 0 44 88 1 0 45 89 1 0 50 91 1 6 54 93 1 6 55 94 1 0 56 95 1 1 57 96 1 0 53 92 1 0 16 73 1 1 14 71 1 6 15 72 1 0 12 69 1 1 13 70 1 0 19 74 1 0 58 97 1 0 59 98 1 0 61 99 1 0 M END