BDT2O1 -OEChem-04012118262D 43 45 0 0 0 0 0 0 0999 V2000 5.9209 2.9120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.4996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.6948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -3.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -3.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 3.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -4.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 4.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -4.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -0.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 0.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 2.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -3.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7062 3.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8705 3.1684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -5.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 -4.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1531 4.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7564 5.1961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9744 4.7994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4630 0.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3385 0.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3859 1.0932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 8 2 0 0 0 0 5 10 2 0 0 0 0 5 20 1 0 0 0 0 6 13 1 0 0 0 0 6 20 2 0 0 0 0 7 13 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 19 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 18 2 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 29 1 0 0 0 0 19 22 2 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$