BUW7D6 -OEChem-04012116462D 42 45 0 0 0 0 0 0 0999 V2000 5.9641 3.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9609 3.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4961 1.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 3.6744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 2.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 2.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 2.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4321 1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9673 3.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 2.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3831 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9184 2.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9713 1.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8384 3.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5120 0.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3791 3.1893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7159 1.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3712 2.8919 0.0000 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 $$$$