B31UOH -OEChem-04012115502D 57 58 0 1 0 0 0 0 0999 V2000 9.4651 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 1 0 0 0 1 48 1 0 0 0 0 2 27 2 0 0 0 0 3 28 2 0 0 0 0 4 30 1 0 0 0 0 4 54 1 0 0 0 0 5 30 2 0 0 0 0 6 32 1 0 0 0 0 6 57 1 0 0 0 0 7 32 2 0 0 0 0 19 8 1 6 0 0 0 8 27 1 0 0 0 0 8 47 1 0 0 0 0 9 28 1 0 0 0 0 9 31 1 0 0 0 0 9 51 1 0 0 0 0 10 26 1 0 0 0 0 10 31 2 0 0 0 0 11 26 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 12 31 1 0 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 26 2 0 0 0 0 18 28 1 0 0 0 0 19 22 1 0 0 0 0 19 30 1 0 0 0 0 19 40 1 0 0 0 0 20 24 1 0 0 0 0 20 41 1 0 0 0 0 21 25 2 0 0 0 0 21 42 1 0 0 0 0 22 29 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 29 32 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$