D00106 -OEChem-05072121452D 39 41 0 1 0 0 0 0 0999 V2000 4.5981 -0.8174 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4322 -1.3130 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 1.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4053 0.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6229 -2.7041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 -1.0301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5893 -2.4472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1769 -0.2922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8063 0.4293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4724 -0.3215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4724 0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1445 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8501 -1.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8166 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5924 -1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1754 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6824 -1.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2334 -0.8936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0163 -1.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5587 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4612 -3.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4185 0.3311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5853 1.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 15 2 0 0 0 0 4 19 1 0 0 0 0 4 35 1 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 10 1 0 0 0 0 7 37 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 14 9 1 1 0 0 0 9 20 1 0 0 0 0 9 29 1 0 0 0 0 10 22 2 0 0 0 0 11 24 1 0 0 0 0 11 26 2 0 0 0 0 12 26 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 6 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 32 1 0 0 0 0 22 24 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 24 25 2 0 0 0 0 25 36 1 0 0 0 0 M END $$$$