B8ISP5 -OEChem-04022102012D 38 41 0 0 0 0 0 0 0999 V2000 2.9826 0.5781 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 -1.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 0.4849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2942 -3.5359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5129 2.4406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4302 3.6430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0129 3.3066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 -2.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 -1.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 -2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 -3.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 -2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7916 1.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 -4.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3882 -1.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 -3.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5348 2.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3882 -4.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3135 1.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2942 -2.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 3.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3438 4.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 -1.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8402 -0.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2252 -2.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2991 0.7949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 -4.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3810 -1.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2252 -3.8251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3810 -4.6697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 1.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8300 -2.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7651 1.8742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4727 4.6562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 23 1 0 0 0 0 2 14 2 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 30 1 0 0 0 0 4 22 2 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 37 1 0 0 0 0 6 21 2 0 0 0 0 6 26 1 0 0 0 0 7 26 2 0 0 0 0 8 25 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 17 1 0 0 0 0 12 22 1 0 0 0 0 13 19 1 0 0 0 0 13 29 1 0 0 0 0 15 16 2 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 24 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 26 38 1 0 0 0 0 M END $$$$