BUW7D6 -OEChem-04022105013D 42 45 0 0 0 0 0 0 0999 V2000 3.4474 -1.1217 0.8327 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6036 -1.6739 1.7108 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6378 2.6549 1.4219 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7254 3.3548 0.4125 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0213 0.1104 1.1219 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0246 0.4164 0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8621 0.9829 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5359 1.2669 -0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -0.9264 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4038 0.7144 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 1.8040 -1.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8493 0.9888 -0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 1.0136 0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5516 -2.1315 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 2.0879 -1.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1362 2.3565 -2.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0964 -0.2232 0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8685 1.9329 -0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2503 -2.3914 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 -3.0365 0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3628 -0.4912 1.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4444 2.4125 0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1348 1.6649 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -3.5562 -1.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4844 -4.2014 0.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3820 0.4528 0.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -4.4612 -0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 0.1051 0.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 2.0181 -2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2559 2.5149 -2.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0321 2.9885 -3.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3388 -0.9976 0.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7151 2.9023 -0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5439 -1.6999 -2.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 -2.8483 1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9269 2.4026 0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3318 -3.7589 -2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1853 -4.9057 1.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3724 0.2569 1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3501 -5.3681 -1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 -1.6903 2.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8141 3.6163 1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 21 1 0 0 0 0 2 41 1 0 0 0 0 3 22 1 0 0 0 0 3 42 1 0 0 0 0 4 22 2 0 0 0 0 5 13 2 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 9 14 1 0 0 0 0 10 28 1 0 0 0 0 11 16 1 0 0 0 0 11 29 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 22 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 21 1 0 0 0 0 17 32 1 0 0 0 0 18 23 2 0 0 0 0 18 33 1 0 0 0 0 19 24 1 0 0 0 0 19 34 1 0 0 0 0 20 25 2 0 0 0 0 20 35 1 0 0 0 0 21 26 2 0 0 0 0 23 26 1 0 0 0 0 23 36 1 0 0 0 0 24 27 2 0 0 0 0 24 37 1 0 0 0 0 25 27 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$