D0FT4R -OEChem-10121500502D 52 53 0 0 0 0 0 0 0999 V2000 8.5991 -0.4330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4292 2.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1053 3.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 3.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8923 1.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7392 1.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9662 2.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9662 4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1192 4.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8923 3.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4853 4.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -0.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 15 2 0 0 0 0 6 26 2 0 0 0 0 7 30 1 0 0 0 0 7 52 1 0 0 0 0 8 30 2 0 0 0 0 9 18 1 0 0 0 0 9 40 1 0 0 0 0 10 26 1 0 0 0 0 10 29 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 39 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 24 2 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 24 45 1 0 0 0 0 25 28 1 0 0 0 0 25 46 1 0 0 0 0 27 28 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 29 50 1 0 0 0 0 29 51 1 0 0 0 0 M END $$$$