D0S5HO -OEChem-04152109042D 58 60 0 1 0 0 0 0 0999 V2000 4.2690 0.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1196 -1.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5875 -0.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7273 1.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5759 -3.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8439 -3.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.2251 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0290 3.2944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 1.7323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 0.2156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.2598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.7390 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9350 2.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 1.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0174 0.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 0.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 1.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8555 -0.2877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2593 0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8516 -1.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3914 -0.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 1.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1234 -0.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7157 -1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7234 0.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7118 -2.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9314 1.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 2.6745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3988 0.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1958 0.7591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 3.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3974 0.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0102 -0.3948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6374 0.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6694 2.3523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9892 -0.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4015 2.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8579 0.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2414 -1.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6373 -1.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3890 -0.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8013 1.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9938 0.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3259 -1.9011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9300 -1.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1256 0.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5735 -3.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 30 2 0 0 0 0 3 32 1 0 0 0 0 3 57 1 0 0 0 0 4 32 2 0 0 0 0 5 33 1 0 0 0 0 5 58 1 0 0 0 0 6 33 2 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 39 1 0 0 0 0 9 16 1 0 0 0 0 9 21 1 0 0 0 0 9 43 1 0 0 0 0 10 18 1 0 0 0 0 10 22 2 0 0 0 0 11 20 1 0 0 0 0 11 22 1 0 0 0 0 11 44 1 0 0 0 0 25 12 1 1 0 0 0 12 30 1 0 0 0 0 12 52 1 0 0 0 0 13 22 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 28 1 0 0 0 0 23 45 1 0 0 0 0 24 29 2 0 0 0 0 24 46 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 31 33 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END $$$$