EXO0333 -OEChem-04222009582D 54 57 0 1 0 0 0 0 0999 V2000 5.0729 1.0369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6651 9.9381 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.9140 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.9140 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 9.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9389 1.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5729 1.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5729 0.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6651 7.8898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6077 6.1758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 7.8793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.9140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7432 6.6832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2465 7.5473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7436 6.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7658 6.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5802 8.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 8.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 9.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 9.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2069 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6510 5.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9360 8.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5808 6.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 6.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6986 6.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0832 8.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2723 8.8311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 6.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6053 5.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 10.5686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 8.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 6.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 5.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8969 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5169 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4759 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 1 35 1 0 0 0 0 2 21 1 0 0 0 0 3 29 1 0 0 0 0 4 34 1 0 0 0 0 5 25 2 0 0 0 0 6 31 1 0 0 0 0 6 50 1 0 0 0 0 7 31 2 0 0 0 0 8 54 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 17 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 20 1 0 0 0 0 13 22 2 0 0 0 0 14 22 1 0 0 0 0 14 26 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 6 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 37 1 6 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 30 33 2 0 0 0 0 30 47 1 0 0 0 0 32 34 2 0 0 0 0 32 48 1 0 0 0 0 33 34 1 0 0 0 0 33 49 1 0 0 0 0 35 51 1 0 0 0 0 35 52 1 0 0 0 0 35 53 1 0 0 0 0 M END $$$$