B8JE3K -OEChem-04022115093D 38 40 0 0 0 0 0 0 0999 V2000 4.7129 2.1830 0.8424 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7269 0.4918 0.5522 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 2.2211 -1.3608 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4362 0.1442 0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3289 0.3762 0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 -0.3726 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8703 0.0242 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 1.0242 1.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2026 -0.3877 -0.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9047 0.9081 1.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5851 -0.5036 -0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 0.1327 -0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 -1.7510 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5536 -1.0089 0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5697 0.9414 -0.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0908 -0.7405 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6271 -2.6243 -0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8806 -2.1190 -0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9364 -1.1248 0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9524 0.8256 -0.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2993 1.5674 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6357 -0.2075 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 1.3565 1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 1.6213 2.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4354 -0.8841 -1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5539 1.4193 1.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9831 -1.0988 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6261 -2.1759 0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0239 -1.7325 1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0526 1.7527 -1.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0726 -0.3595 -0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4654 -3.6977 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6935 -2.7990 -0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4686 -1.9292 0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4971 1.5397 -1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7122 -0.2977 -0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 3.2179 -1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7464 1.7318 -2.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 23 1 0 0 0 0 3 21 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 7 1 0 0 0 0 4 10 2 0 0 0 0 4 11 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 2 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 9 11 2 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 12 16 2 0 0 0 0 12 21 1 0 0 0 0 13 17 1 0 0 0 0 13 28 1 0 0 0 0 14 19 1 0 0 0 0 14 29 1 0 0 0 0 15 20 2 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 22 36 1 0 0 0 0 M END $$$$