B3AUC5 -OEChem-04022105263D 52 55 0 0 0 0 0 0 0999 V2000 -1.6986 -1.9038 -0.2352 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3161 -1.5316 -0.7302 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5084 0.9327 -0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9928 -0.3190 0.6037 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1285 -0.6729 0.4741 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8244 0.9020 -1.7840 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0183 0.3012 0.4405 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 0.3693 1.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3954 -1.3218 -0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7184 0.5521 1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0412 -1.7885 0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -0.1051 0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0419 0.3088 -0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 -0.8397 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1053 -0.3065 1.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4236 0.5054 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6288 0.6008 -1.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4835 -0.1028 1.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1707 0.3080 0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 0.9623 -2.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4158 0.4585 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1926 -0.6230 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0143 1.6950 0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5678 -0.4680 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3895 1.8500 0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1664 0.7685 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6274 -2.7603 -0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0408 2.2286 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 1.3550 1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -0.2184 2.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0571 -2.1912 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -0.8946 -1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7226 1.2880 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 0.9387 1.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1609 -2.3021 1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6019 -2.5081 -0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6115 -0.6323 2.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6266 0.5684 -2.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0347 -0.2667 2.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2438 0.4662 0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7765 1.1178 -2.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5456 1.1495 0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 1.2601 -3.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7450 -1.5830 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4196 2.5455 0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7853 2.8385 0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3766 -3.4917 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9019 -2.6760 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1836 -3.1518 -0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1193 2.1778 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9097 2.5096 1.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6372 2.9806 -0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 24 1 0 0 0 0 2 27 1 0 0 0 0 3 26 1 0 0 0 0 3 28 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 6 41 1 0 0 0 0 7 14 1 0 0 0 0 7 21 1 0 0 0 0 7 42 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 15 37 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END $$$$