B3TE1S -OEChem-04012117052D 38 41 0 0 0 0 0 0 0999 V2000 3.6810 1.4070 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.3375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 5.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 0.4560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -3.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0471 -1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -4.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 2.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0471 -2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9901 0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -4.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0471 -4.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -5.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0471 -5.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -6.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 4.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 4.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5793 2.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6626 1.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -1.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -1.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -2.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -2.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5797 0.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -4.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -4.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -5.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -5.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -6.7518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1196 4.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 6.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 2 24 1 0 0 0 0 3 23 1 0 0 0 0 3 38 1 0 0 0 0 4 8 1 0 0 0 0 4 13 2 0 0 0 0 5 17 2 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 8 16 2 0 0 0 0 9 14 1 0 0 0 0 9 27 1 0 0 0 0 10 15 2 0 0 0 0 10 28 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 24 37 1 0 0 0 0 M END $$$$