RDKit 3D 45 47 0 0 0 0 0 0 0 0999 V2000 3.8450 -1.8804 -1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3961 -0.8743 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1051 -0.7024 0.8343 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2481 -0.1083 -0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 0.8578 0.6025 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9624 2.1800 -0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8257 2.3463 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 1.8367 -0.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3638 2.1199 -1.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7086 1.0379 0.3825 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8220 0.0893 0.2934 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0835 -1.2482 -0.0477 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6668 -1.7343 1.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -0.8593 1.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4464 0.5581 1.1831 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4777 1.3429 2.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3635 -0.9068 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5094 -1.7850 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 -0.9593 -2.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3978 -1.7565 -2.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9657 -1.8656 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5797 -2.8750 -0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 0.8234 1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 2.2047 -0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9939 2.9801 0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 2.9522 -1.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1522 1.6053 -2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4005 1.8666 -1.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4341 3.2402 -2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 1.9244 1.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3472 0.0898 1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2248 -1.1679 -0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4167 -1.4772 2.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3464 -2.7710 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8201 -0.9834 2.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3778 -1.4075 1.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4229 1.0235 3.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5472 2.4224 2.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3697 0.9334 3.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4778 -1.2525 -0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 -1.9050 1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5033 -2.7717 -0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5858 -0.7019 -2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6919 -2.0389 -2.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4002 -0.4025 -2.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 1 12 17 1 0 17 18 1 0 17 19 1 0 15 5 1 0 15 10 1 0 17 11 1 0 1 20 1 0 1 21 1 0 1 22 1 0 5 23 1 1 6 24 1 0 6 25 1 0 7 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 1 11 31 1 1 12 32 1 6 13 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 16 37 1 0 16 38 1 0 16 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 19 45 1 0 M END