D0WZC1 -OEChem-06062108582D 51 55 0 1 0 0 0 0 0999 V2000 13.6752 -1.6617 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4889 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 -1.3979 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 0.5944 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9810 -0.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1752 -0.7957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1752 0.9364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5622 -1.0466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6752 -1.6617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1752 -2.5277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0351 2.4111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7763 1.4452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2985 3.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4036 0.8532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0616 1.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4341 1.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6752 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6752 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9848 -0.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1752 -0.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1752 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4112 0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1752 -0.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1752 0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6752 -1.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 -1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6752 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 -0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9962 -0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1752 -2.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6752 -3.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6752 -3.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2551 3.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5563 0.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6163 3.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6854 3.4857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8356 0.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8673 2.3816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4758 1.5897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0507 1.8375 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 10.6862 2.4687 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 11.8652 1.4733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6732 1.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4852 1.4733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0594 1.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3039 -1.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2952 0.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5552 -2.5277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9852 -3.9307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3652 -3.9307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 30 1 0 0 0 0 14 5 1 6 0 0 0 5 19 1 0 0 0 0 6 17 2 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 19 2 0 0 0 0 8 27 1 0 0 0 0 9 25 2 0 0 0 0 9 31 1 0 0 0 0 10 25 1 0 0 0 0 10 32 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 34 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 1 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 25 1 0 0 0 0 21 24 2 0 0 0 0 21 43 1 0 0 0 0 22 26 2 0 0 0 0 22 44 1 0 0 0 0 23 28 2 0 0 0 0 24 28 1 0 0 0 0 24 45 1 0 0 0 0 26 29 1 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 31 33 2 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 33 51 1 0 0 0 0 M ISO 2 41 2 42 2 M END $$$$