D0O2PV -OEChem-04152109322D 44 45 0 1 0 0 0 0 0999 V2000 4.9139 2.5566 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4055 1.1720 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0621 0.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3248 2.6829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1708 3.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2448 1.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5831 3.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6102 1.5592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -1.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9864 -1.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6195 -3.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0843 -1.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6571 1.8874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4512 0.2720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 -1.0662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -0.1816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9055 -0.3669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6655 -0.0881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 0.8888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7080 0.9412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6557 1.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0403 0.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4022 0.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1454 -0.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 -0.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0964 0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4055 1.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7145 0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7785 -2.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8275 -2.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 1.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5011 0.3567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 -0.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5661 -0.1829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3223 -0.3344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2997 3.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2233 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0410 1.6736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8648 -2.9674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3981 -2.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1263 0.3268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7944 -0.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0299 -3.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 13 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 22 1 0 0 0 0 3 25 1 0 0 0 0 4 21 2 0 0 0 0 5 36 1 0 0 0 0 8 23 2 0 0 0 0 9 25 2 0 0 0 0 10 15 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 44 1 0 0 0 0 12 30 2 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 20 14 1 1 0 0 0 14 23 1 0 0 0 0 14 35 1 0 0 0 0 15 24 2 0 0 0 0 16 25 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 26 1 0 0 0 0 17 28 2 0 0 0 0 18 28 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 1 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 39 1 0 0 0 0 29 30 1 0 0 0 0 29 40 1 0 0 0 0 29 41 1 0 0 0 0 M END $$$$