B9AW8I -OEChem-04012119202D 45 48 0 0 0 0 0 0 0999 V2000 4.5981 1.0591 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5591 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 1.8144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 0.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -0.7456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 -1.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 0.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4315 -1.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7422 -2.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0994 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7207 -3.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0779 -1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3886 -2.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 3.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 3.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.9765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.7509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8392 -1.7835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4325 -2.3158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3281 -3.3144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9068 -0.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9133 -3.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4920 -0.9028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9952 -2.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 5 20 2 0 0 0 0 6 21 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 22 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$