BB2W3Z -OEChem-04022118053D 28 30 0 0 0 0 0 0 0999 V2000 -0.0109 -2.1106 -0.0051 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7378 2.6019 0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 1.8185 -0.0017 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6771 -1.6306 0.0033 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4649 0.2356 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3205 0.7501 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8529 -0.5567 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4048 -0.7931 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9181 -0.0100 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0444 1.6519 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6933 0.9776 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6095 -0.1338 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6019 -0.1188 -1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5592 -0.1092 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0069 -1.3800 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 -0.3664 1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9773 -0.3513 -1.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6688 -0.4752 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7904 2.7627 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0944 1.9870 -0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0904 -0.0507 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -0.0241 -2.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6338 0.0333 -0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6411 -2.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5234 -0.4627 2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5099 -0.4359 -2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7397 -0.6562 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 -2.6781 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 28 1 0 0 0 0 2 10 2 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 19 1 0 0 0 0 4 7 1 0 0 0 0 4 15 2 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 11 14 2 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 12 21 1 0 0 0 0 13 17 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 M END $$$$