D0R4PS -OEChem-04152108412D 57 59 0 1 0 0 0 0 0999 V2000 13.8116 0.2033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.2379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.2379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.7379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8232 3.2726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7292 1.7171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5933 3.2621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.7379 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1972 2.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8232 1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7292 2.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 3.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 2.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 0.7630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 0.7630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -0.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2650 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -0.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.8447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -1.8697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5910 3.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1315 2.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 21 2 0 0 0 0 3 31 2 0 0 0 0 4 33 1 0 0 0 0 4 56 1 0 0 0 0 5 33 2 0 0 0 0 6 34 1 0 0 0 0 6 57 1 0 0 0 0 7 34 2 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 21 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 40 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 10 41 1 0 0 0 0 11 19 1 0 0 0 0 11 23 2 0 0 0 0 12 20 1 0 0 0 0 12 23 1 0 0 0 0 12 43 1 0 0 0 0 24 13 1 1 0 0 0 13 31 1 0 0 0 0 13 51 1 0 0 0 0 14 23 1 0 0 0 0 14 54 1 0 0 0 0 14 55 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 24 27 1 0 0 0 0 24 33 1 0 0 0 0 24 44 1 0 0 0 0 25 29 1 0 0 0 0 25 45 1 0 0 0 0 26 30 2 0 0 0 0 26 46 1 0 0 0 0 27 32 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 32 34 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M END $$$$