B89KHR -OEChem-04022106432D 41 44 0 0 0 0 0 0 0999 V2000 2.0000 -0.4693 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6262 3.4693 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0383 3.3929 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 2.0572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.9693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -2.2741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -1.4693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 1.0302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 0.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2976 0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9619 1.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6082 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9404 2.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2940 2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -0.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.0770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -2.9443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -2.9443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7116 0.0307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2149 1.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1330 2.7763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 5 16 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 14 2 0 0 0 0 9 15 2 0 0 0 0 10 17 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 23 2 0 0 0 0 19 35 1 0 0 0 0 20 25 1 0 0 0 0 20 36 1 0 0 0 0 21 26 2 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 27 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$