B3KHJ2 -OEChem-04012112112D 34 35 0 1 0 0 0 0 0999 V2000 6.3301 -1.6270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -1.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -2.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -2.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 0.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 -1.1311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2044 -0.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 -1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 -1.9485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 -1.7032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.0193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.7096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0358 -2.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4757 -1.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7173 -0.9837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.6639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 12 2 1 6 0 0 0 2 19 1 0 0 0 0 5 13 2 0 0 0 0 6 17 1 0 0 0 0 6 20 1 0 0 0 0 7 18 1 0 0 0 0 7 31 1 0 0 0 0 8 18 2 0 0 0 0 9 20 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 6 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 M END $$$$