B3DW6A -OEChem-04022107002D 41 42 0 1 0 0 0 0 0999 V2000 6.4021 -2.8385 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -0.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 -2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 -2.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5931 -3.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9899 -3.6475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2320 -1.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9230 -0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8198 -2.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 -2.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9844 -3.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8444 -1.2280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5135 -1.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 0.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 -0.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2845 0.4954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2626 -2.4058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9907 -2.7300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3716 -1.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6435 -1.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0277 -2.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.4039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7378 -4.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.7508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.5239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0493 -4.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6011 -3.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9196 -2.9263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 12 3 1 1 0 0 0 3 32 1 0 0 0 0 6 18 2 0 0 0 0 7 20 2 0 0 0 0 14 8 1 6 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 9 35 1 0 0 0 0 10 22 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 6 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$