RDKit 2D 31 33 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 -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 9.0933 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 9.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 8.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 10.3923 0.0000 O 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 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 1 16 18 1 0 18 19 1 6 18 20 1 0 20 21 1 1 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 14 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 30 2 1 0 28 4 2 0 13 6 1 0 M END $$$$ RDKit 2D 29 33 0 0 0 0 0 0 0 0999 V2000 3.8670 -13.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9817 -12.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4083 -13.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6699 -11.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2433 -10.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1286 -11.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -11.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3901 -9.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 -9.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -10.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4635 -9.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5048 -8.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9314 -9.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 15 26 1 0 26 27 2 0 8 28 1 0 28 29 2 0 29 5 1 0 27 9 1 0 27 12 1 0 25 16 1 0 24 19 1 0 M END $$$$ RDKit 2D 24 27 0 0 0 0 0 0 0 0999 V2000 -7.2317 -6.0469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9199 -4.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0346 -3.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4933 -4.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1814 -2.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7548 -2.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6401 -3.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2135 -2.7256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -4.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3786 -5.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 14 21 1 0 21 22 2 0 7 23 1 0 23 24 2 0 24 4 1 0 22 8 1 0 22 11 1 0 20 15 1 0 M END $$$$ RDKit 2D 16 17 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8817 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3083 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5218 -1.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3083 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5218 1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3650 3.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8817 1.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 6 5 1 1 6 7 1 0 7 8 1 0 8 9 1 6 8 10 1 0 10 11 1 1 11 12 1 0 10 13 1 0 5 14 1 0 14 15 2 0 14 16 1 0 16 2 2 0 13 6 1 0 M END $$$$ RDKit 2D 29 30 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0046 -4.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8478 -6.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8875 -3.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2578 -4.5606 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.6477 -5.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8679 -3.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6281 -5.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7849 -6.6625 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -10.2767 -6.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2931 -6.8193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9417 -8.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7282 -9.0360 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -8.6099 -10.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8465 -7.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5147 -9.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9918 -2.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 5 4 1 1 5 6 1 0 6 7 1 0 7 8 1 6 7 9 1 0 9 10 1 1 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 12 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 20 23 1 0 9 24 1 0 4 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 2 0 28 2 1 0 24 5 1 0 M END $$$$ RDKit 2D 19 20 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8817 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3083 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5218 -1.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3083 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5218 1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3650 3.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8817 1.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 3.8971 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 7 6 1 1 7 8 1 0 8 9 1 0 9 10 1 6 9 11 1 0 11 12 1 1 12 13 1 0 11 14 1 0 6 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 16 2 1 0 14 7 1 0 M END $$$$ RDKit 2D 17 18 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0046 -4.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8478 -6.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8875 -3.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9918 -2.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 5 4 1 1 5 6 1 0 6 7 1 0 7 8 1 6 7 9 1 0 9 10 1 1 10 11 1 0 9 12 1 0 4 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 2 0 16 2 1 0 12 5 1 0 M END $$$$ RDKit 2D 15 15 0 0 0 0 0 0 0 0999 V2000 6.7500 -3.8971 0.0000 N 0 0 0 0 0 2 0 0 0 0 0 0 6.0000 -2.5981 0.0000 N 0 0 0 0 0 4 0 0 0 0 0 0 5.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0000 0.0000 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 1.2990 0.0000 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 1 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 10 14 1 0 14 15 2 0 15 7 1 0 M CHG 4 1 -1 2 1 11 1 13 -1 M END $$$$ RDKit 2D 13 13 0 0 0 0 0 0 0 0999 V2000 7.2990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 -3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 8 1 0 M END $$$$ RDKit 2D 23 26 0 0 0 0 0 0 0 0999 V2000 -5.2020 -8.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8901 -7.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0048 -6.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4918 -5.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 4 2 1 6 4 5 1 0 5 6 1 0 7 6 1 6 7 8 1 0 8 9 1 1 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 6 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 6 17 19 1 0 19 20 1 6 20 21 1 0 21 22 1 0 22 23 1 6 22 4 1 0 22 7 1 0 19 8 1 0 17 11 1 0 M END $$$$