D0L2KB -OEChem-04152111323D 40 43 0 1 0 0 0 0 0999 V2000 -2.7564 -2.4163 -0.7877 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6084 0.8439 0.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3416 -0.3155 -1.5018 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6982 -1.8157 0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6621 1.1433 -0.3573 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1956 2.0668 -1.2026 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1871 -0.9284 0.7815 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4417 -1.7709 1.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 -2.7523 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0236 -3.0490 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 0.2882 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0329 -1.5894 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 0.9829 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6351 -0.2801 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 0.8750 -0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0956 2.2141 -1.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7935 2.1455 0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9835 -0.3430 0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8548 0.4128 -0.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1288 2.0605 0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7208 0.8180 0.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9745 0.4177 0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6206 0.9919 1.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2772 -0.6533 1.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2876 -2.3538 1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3754 -1.2339 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8597 -2.2888 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0343 -3.6544 0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -3.3273 -1.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3695 -3.8403 0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6699 3.0599 -1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3655 3.1394 0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4847 -1.3005 0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7024 2.9668 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 0.7500 1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0126 -0.6766 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 0.7738 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6677 0.6854 1.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 2.0858 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0904 0.6590 2.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 3 19 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 15 1 0 0 0 0 6 16 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 15 2 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$