B8XAE2 -OEChem-04012112243D 27 28 0 0 0 0 0 0 0999 V2000 0.7626 1.8747 -1.2343 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6938 -0.0148 0.0435 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2258 -1.7674 -0.8039 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1177 -0.1061 0.3883 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4058 -1.4303 1.3069 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2236 0.5263 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9035 -0.6511 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2002 0.6523 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9179 1.6123 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2776 -0.7425 -0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2921 1.5208 0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 0.3435 0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3617 0.3012 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 1.3599 -0.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6473 -3.1130 -0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5469 -0.3657 0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4109 2.5377 0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8408 -1.6397 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2687 -1.6256 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8326 2.3655 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0422 0.2734 0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2119 1.8464 -1.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8016 -3.3126 0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8765 -3.8048 -0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5652 -3.3463 -1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4962 -1.7418 1.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 -1.9246 1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 16 2 0 0 0 0 3 7 1 0 0 0 0 3 15 1 0 0 0 0 3 19 1 0 0 0 0 4 8 2 0 0 0 0 4 13 1 0 0 0 0 5 16 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 M END $$$$