B2EG6P -OEChem-04022105192D 41 44 0 0 0 0 0 0 0999 V2000 9.6934 -0.0523 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 -0.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -2.3930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5553 2.0755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0846 -2.5267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 2.0871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0846 -0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 -0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 -2.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8752 1.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2573 1.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 -0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8298 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 -2.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9582 2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5651 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0490 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5197 1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0035 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7389 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1398 -3.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 -3.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 -1.1054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 -1.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 0.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 -0.4531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0473 -2.8777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6699 0.9226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5264 -0.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5264 -2.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4555 3.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 3.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4608 2.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 2.1243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 -0.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9756 1.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1394 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 31 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 19 1 0 0 0 0 5 10 2 0 0 0 0 5 18 1 0 0 0 0 6 13 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 17 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$