B2X0SM -OEChem-04022108583D 27 27 0 1 0 0 0 0 0999 V2000 -1.4411 -1.6711 0.3359 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2942 -0.2930 -0.3622 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2916 -0.0071 -0.5354 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0538 0.4221 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4742 -0.9046 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9623 1.4850 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 -1.3496 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7995 0.9948 -0.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0343 -0.5688 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0112 0.5728 -0.1674 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1089 1.3196 1.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8337 0.7637 0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5286 0.2762 -0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 -1.6745 0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1326 -0.7872 1.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5941 1.7328 1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3818 2.4023 -0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6454 -1.5728 -1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -2.2674 0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 1.7825 -0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1284 0.8380 -1.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7618 1.2447 -0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3986 0.6564 1.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1462 1.7668 1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8464 2.1275 1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9865 0.7323 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6348 -0.6041 0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 M END $$$$