RDKit 2D 49 52 0 0 0 0 0 0 0 0999 V2000 4.8943 1.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1443 0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1443 -2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 -2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3943 1.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 1.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0323 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8578 -2.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3213 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -5.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9032 -6.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -7.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2115 -7.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2115 -5.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3907 1.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6443 2.6836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1933 0.6346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 2.7441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3943 -1.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5538 -3.0256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8838 -3.9898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0829 -3.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5123 -3.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 -2.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9804 2.7653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8934 1.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5996 2.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8979 2.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4557 2.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4989 2.7099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5688 -3.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -2.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 -3.7805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1052 -4.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5968 -6.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3213 -9.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -5.0751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6004 -0.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2294 2.2473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5304 2.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3944 -0.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23 22 1 0 22 10 1 0 10 9 1 0 9 7 1 0 7 8 1 1 7 6 1 0 6 5 1 0 5 4 1 0 4 3 1 0 3 2 2 0 2 1 1 0 6 14 1 0 14 15 1 1 15 16 1 0 16 17 1 0 17 21 2 0 21 20 1 0 20 19 1 0 19 18 2 0 14 12 1 0 12 13 2 0 12 11 1 0 14 22 1 0 18 17 1 0 11 10 1 0 2 7 1 0 23 47 1 0 23 48 1 0 23 49 1 0 22 46 1 1 10 38 1 6 9 36 1 0 9 37 1 0 8 33 1 0 8 34 1 0 8 35 1 0 6 32 1 1 5 30 1 0 5 31 1 0 4 28 1 0 4 29 1 0 3 27 1 0 1 24 1 0 1 25 1 0 1 26 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 21 45 1 0 19 44 1 0 18 43 1 0 M END