RDKit 2D 48 52 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9635 -4.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2384 2.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6873 2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6004 3.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4373 0.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6001 -0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 1.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6478 1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1853 2.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 3.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0756 4.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1828 -1.4888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 1.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -2.2871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9635 -4.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0037 -4.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8603 -4.8361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5838 -2.1155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7135 -5.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2626 -3.2747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 -4.9274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 2.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2391 -1.4622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -2.7265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6207 -2.5248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3828 -0.2994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1396 1.2166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9598 -0.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0023 3.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5949 1.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0803 4.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8683 5.7355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2414 5.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0901 3.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 6 1 0 6 5 1 0 5 4 1 0 4 3 1 0 3 2 2 0 2 1 1 0 2 12 1 0 12 11 1 0 11 9 1 0 9 10 2 0 8 9 1 6 8 17 1 0 17 16 1 0 16 14 1 0 14 15 2 0 13 14 1 1 13 23 1 0 23 24 1 0 23 22 1 0 22 21 1 0 21 20 1 0 20 18 2 0 18 19 1 0 8 6 1 0 18 17 1 0 8 3 1 0 20 13 1 0 13 12 1 0 7 33 1 0 7 34 1 0 7 35 1 0 6 32 1 1 5 30 1 0 5 31 1 0 4 28 1 0 4 29 1 0 1 25 1 0 1 26 1 0 1 27 1 0 12 36 1 1 17 37 1 1 23 45 1 1 24 46 1 0 24 47 1 0 24 48 1 0 22 43 1 0 22 44 1 0 21 41 1 0 21 42 1 0 19 38 1 0 19 39 1 0 19 40 1 0 M END