D0T2FP -OEChem-04152111272D 40 42 0 1 0 0 0 0 0999 V2000 2.7320 3.4145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6825 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.5485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 4.2806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.8175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 1.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 2.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 0.6456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.7194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 1.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 2.5485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 4.8175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 4.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -4.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 14 1 0 0 0 0 3 20 2 0 0 0 0 4 9 1 0 0 0 0 4 19 2 0 0 0 0 5 15 1 0 0 0 0 5 20 1 0 0 0 0 5 35 1 0 0 0 0 6 19 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 21 2 0 0 0 0 7 25 1 0 0 0 0 8 26 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 1 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 18 2 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$