B1BUI0 -OEChem-04022103282D 44 46 0 0 0 0 0 0 0999 V2000 8.3900 -0.6439 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1357 0.0224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6443 -1.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6804 -1.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3888 -2.8810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0735 3.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5183 2.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0563 -1.3896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9909 1.0925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4202 3.0349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0183 0.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3273 1.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0183 0.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7092 1.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7237 0.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7032 -0.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3427 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0456 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6938 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -0.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0352 -1.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7015 -1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3128 0.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 2.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3467 -2.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0550 -3.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5048 -0.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5183 2.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5274 2.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6516 1.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8624 -1.9785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5317 -0.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5623 -0.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8052 -0.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0945 -2.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 -0.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2354 3.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8843 -2.8858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7598 -2.9351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8090 -2.0597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5927 -4.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4681 -4.0891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5174 -3.2137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 4 22 1 0 0 0 0 4 25 1 0 0 0 0 5 22 1 0 0 0 0 5 26 1 0 0 0 0 6 24 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 28 1 0 0 0 0 8 21 1 0 0 0 0 8 31 1 0 0 0 0 9 19 2 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 24 1 0 0 0 0 20 23 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$