B7GJK2 -OEChem-04022107012D 44 47 0 1 0 0 0 0 0999 V2000 9.1504 -0.8436 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4562 -0.4835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4781 -0.6914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 -2.1308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5608 0.5110 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6472 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4268 1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 0.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4268 2.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1588 1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1588 2.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1994 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 2.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 1.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -0.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 2.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 0.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9588 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9588 2.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5283 1.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9572 1.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1456 1.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 -0.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8898 2.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 3.1310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 1.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -1.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0456 -0.1436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0456 3.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3301 1.8636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 -0.9270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4946 0.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4946 2.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4522 -2.5457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4018 -2.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 1.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 -0.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 3 8 2 0 0 0 0 4 14 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 15 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 13 19 2 0 0 0 0 15 31 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 17 21 2 0 0 0 0 17 33 1 0 0 0 0 18 23 1 0 0 0 0 18 34 1 0 0 0 0 19 24 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$