B3YPT5 -OEChem-04022102053D 36 39 0 0 0 0 0 0 0999 V2000 -0.8613 0.7856 -0.0005 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9546 -1.8824 0.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3898 -1.1418 0.0835 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 1.0230 -0.1553 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6512 0.0614 0.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0438 -1.6457 0.3198 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6641 -0.8543 -1.0663 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6105 -0.5292 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4276 -0.1735 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3068 0.8213 -0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0441 -0.4524 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9146 -1.0255 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3538 1.7460 -0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9442 -0.0912 -0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6710 1.2704 -0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3624 -0.4024 0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4237 -1.6724 0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1149 0.1220 0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8582 -0.6688 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2948 -0.4804 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1141 1.4669 0.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 0.2618 -0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2932 2.2092 0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4732 1.6066 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6825 -0.3541 -0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2402 -2.1345 0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1241 -2.0827 0.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1518 2.8058 -0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9766 -0.4321 -0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4926 1.9725 -0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9223 -2.6286 0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7082 1.0632 0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3002 -1.5276 -0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 1.9666 0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2948 3.2543 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3846 2.1981 0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 19 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 26 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 16 1 0 0 0 0 5 19 1 0 0 0 0 5 32 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 25 3 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 10 13 2 0 0 0 0 11 17 2 0 0 0 0 12 14 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 15 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 M END $$$$