B2PDW6 -OEChem-04022113553D 39 41 0 0 0 0 0 0 0999 V2000 -2.6508 -2.4309 -2.3312 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 1.4337 0.4011 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8896 0.1675 0.0576 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9017 2.1902 1.8575 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7287 -0.4495 -0.5505 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9309 2.3182 0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 2.4473 0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8182 1.2908 0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0243 1.1705 -0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2495 3.2254 -0.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3431 2.0776 -1.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4556 3.1050 -1.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2883 0.3459 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -1.1028 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4928 1.4304 0.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5408 0.1414 0.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4332 -1.6044 -0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7734 -1.8807 1.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4001 -1.5021 -1.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3114 -0.9352 0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8003 -1.7328 -0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 -2.8838 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2468 -3.1601 1.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3133 -3.6617 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 2.3311 1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 3.4354 0.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5633 0.6061 1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 4.0294 -1.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2808 1.9885 -1.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7037 3.8108 -2.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7742 -0.2524 -0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0161 0.7473 1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1148 -1.0287 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 -1.4947 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3238 -1.0824 0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3831 -2.5404 -1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 -3.2763 -1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5635 -3.7657 2.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9039 -4.6582 0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 3 9 1 0 0 0 0 3 14 1 0 0 0 0 4 15 2 0 0 0 0 5 13 1 0 0 0 0 5 19 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 17 22 1 0 0 0 0 17 33 1 0 0 0 0 18 23 2 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$