B5QBT2 -OEChem-04042102013D 22 23 0 0 0 0 0 0 0999 V2000 4.1026 -0.2713 -0.3435 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5569 -1.0971 0.0807 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9646 1.4455 -0.1548 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5044 -0.2325 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9105 0.0583 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4241 0.8033 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -1.5522 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7897 0.5199 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2269 -0.7998 0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 -1.8358 0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 1.2026 0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -0.8091 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9446 0.9529 0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7433 1.6154 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0927 1.8353 -0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7614 -2.3831 0.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6329 -2.8656 0.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2152 2.1007 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 -1.7925 -0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8534 1.5139 0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3242 2.6323 -0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0987 -0.2982 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 3 14 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 7 10 2 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 17 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 M END $$$$