RDKit 3D 81 86 0 0 0 0 0 0 0 0999 V2000 2.8437 0.8010 5.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8416 0.6335 4.0515 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.5131 2.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4508 0.5614 2.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 0.4427 0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0939 0.4957 0.6028 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1224 0.6631 1.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7507 0.2785 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1165 0.1637 -1.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 0.2195 -1.6265 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1473 0.0004 -2.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7923 -0.0529 -1.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4227 0.0590 -0.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9644 -0.0148 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7942 1.0682 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1142 0.9240 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -0.3214 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9024 -0.5188 1.0252 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7805 -1.4467 0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2804 -2.6802 1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5828 -2.7880 1.3772 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2426 -3.9450 1.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4132 -3.7428 0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0901 -3.6158 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2379 -4.7402 0.5743 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7825 -5.9676 0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6295 -2.3750 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4677 -1.2809 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0726 2.0608 0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6288 3.0639 -0.5874 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3796 3.4558 -0.1552 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3786 3.7029 1.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3278 2.3956 -0.5276 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1414 2.8283 0.0974 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 3.3522 -0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 3.8165 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7244 3.4057 -1.9201 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 0.2243 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1424 0.3472 1.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1628 -0.2376 -2.9646 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2052 -1.5975 -3.3417 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2392 0.5299 -4.1971 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1364 -0.2029 -5.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 0.8587 -4.2733 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 -0.1297 -3.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3637 0.8859 6.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -0.0535 5.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4569 1.6936 4.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2490 0.6895 3.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0757 1.7007 1.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1248 0.5485 1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0361 -0.0720 2.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 0.1415 -2.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5978 0.1872 1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3833 -4.6601 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2831 -3.6533 2.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8019 -4.4319 2.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7465 -4.7320 1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 -5.9463 2.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0819 -6.8136 0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7009 -6.2485 0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4178 -2.2640 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2291 2.4543 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0807 1.7702 -0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0668 4.3864 -0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2803 4.2414 1.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 2.7341 1.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5089 4.3349 1.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2191 2.5251 -1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 3.7030 -0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0453 4.9157 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3534 3.2901 0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1221 0.3147 2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2034 0.0205 -2.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2945 -2.1170 -2.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3236 1.5085 -4.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6654 -0.1109 -6.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 0.2731 -5.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3754 -1.2578 -5.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 -0.0218 -4.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0527 -1.1441 -4.0221 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 1 0 5 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 45 1 0 45 44 1 0 44 42 1 0 42 43 1 0 42 40 1 0 40 41 1 0 40 12 1 0 12 13 2 0 13 38 1 0 38 39 2 0 13 14 1 0 14 28 1 0 28 27 2 0 27 24 1 0 24 25 1 0 25 26 1 0 24 23 2 0 23 20 1 0 20 21 1 0 21 22 1 0 20 19 2 0 19 17 1 0 17 18 1 0 17 16 2 0 16 15 1 0 15 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 2 0 33 31 1 0 31 32 1 0 31 30 1 0 30 29 1 0 39 3 1 0 15 14 2 0 38 8 1 0 19 28 1 0 29 16 1 0 12 11 1 0 1 46 1 0 1 47 1 0 1 48 1 0 4 49 1 0 7 50 1 0 7 51 1 0 7 52 1 0 10 53 1 0 45 80 1 0 45 81 1 0 42 76 1 6 43 77 1 0 43 78 1 0 43 79 1 0 40 74 1 1 41 75 1 0 39 73 1 0 27 62 1 0 26 59 1 0 26 60 1 0 26 61 1 0 23 58 1 0 22 55 1 0 22 56 1 0 22 57 1 0 18 54 1 0 33 69 1 6 36 70 1 0 36 71 1 0 36 72 1 0 31 65 1 6 32 66 1 0 32 67 1 0 32 68 1 0 29 63 1 0 29 64 1 0 M END