B85CUJ -OEChem-04012113513D 35 37 0 0 0 0 0 0 0999 V2000 1.2755 1.3414 0.2834 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8997 1.6029 0.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4296 -3.1351 -0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6827 3.8771 0.1541 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8187 0.0560 -0.2797 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4987 -2.0300 -0.0793 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3576 1.2897 -0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9035 0.1915 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8398 1.3619 -1.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1019 1.4171 0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2909 0.3294 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3853 -1.1100 0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1493 -0.7685 -0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 2.6137 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 -2.0508 -0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 -2.2211 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0264 -0.1211 1.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1093 -1.1013 -0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1574 2.7696 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4488 -1.4256 1.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8310 -2.8868 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 2.1162 -0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8193 1.3422 -1.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5711 2.2917 -1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4714 0.5161 -1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6855 -1.2792 0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 -0.5602 -0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1124 3.5261 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8063 -3.2205 0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 0.6543 1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0226 -1.2209 -1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7193 -1.9602 2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0743 -2.3460 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2193 -2.3829 0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3283 -3.8604 -0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 4 19 2 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 18 2 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 12 16 2 0 0 0 0 12 26 1 0 0 0 0 13 15 2 0 0 0 0 13 27 1 0 0 0 0 14 19 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$