B9NMZ1 -OEChem-04022105063D 41 44 0 1 0 0 0 0 0999 V2000 0.3248 1.2947 1.2417 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1354 2.4822 -0.3841 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3033 1.0430 -0.7402 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7519 -0.6234 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0645 0.0913 1.1452 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9089 -0.7106 -0.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5366 0.4127 0.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0069 -0.0729 -0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -1.1542 -0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8597 -1.3320 -2.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6457 -1.0816 0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3764 1.0717 1.8562 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5072 -1.7802 -1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.1034 -0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6402 -1.8681 -2.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 1.2492 1.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5297 -0.0071 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 0.7700 0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -2.1136 1.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6671 0.0354 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0364 -2.0712 1.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9204 -0.9966 1.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0906 2.1802 -0.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4992 3.0776 -2.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 -0.5510 2.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7369 -1.4079 -2.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0146 1.4407 2.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4358 -2.2122 -2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7094 -0.2611 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5772 -2.3605 -3.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2075 1.4281 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3929 1.7633 2.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2246 0.9202 -0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 -2.9591 1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4026 0.8262 0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2336 -2.8745 2.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4681 0.9692 -1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8057 -0.9650 2.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4092 2.5305 -2.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1465 3.9454 -2.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5114 3.4226 -1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 31 1 0 0 0 0 2 23 2 0 0 0 0 3 17 1 0 0 0 0 3 23 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 15 2 0 0 0 0 10 26 1 0 0 0 0 11 17 1 0 0 0 0 11 19 2 0 0 0 0 12 16 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 18 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 20 2 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$