D00IRU -OEChem-10101305032D 64 65 0 1 0 0 0 0 0999 V2000 9.1344 12.0404 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 5.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 7.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 5.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1344 6.0404 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4024 2.0404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5934 1.4526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9024 0.5016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2684 6.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1344 5.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2684 7.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0005 6.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2684 4.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1344 8.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0005 7.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2684 3.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1344 9.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4024 3.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0005 9.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2684 9.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0005 10.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2684 10.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2114 1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1344 11.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 6.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9024 0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 6.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6578 6.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 5.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3465 4.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7450 5.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 8.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6578 7.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2125 5.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6111 6.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 5.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6578 4.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5374 7.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 2.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8790 3.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1904 3.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7918 2.9328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5374 9.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7315 9.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5374 10.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7315 10.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8011 1.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 5.9683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 5.2781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3516 6.9638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6613 7.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 4.4828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 6.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 8.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 27 1 0 0 0 0 2 61 1 0 0 0 0 3 33 1 0 0 0 0 3 62 1 0 0 0 0 4 33 2 0 0 0 0 5 34 1 0 0 0 0 5 63 1 0 0 0 0 6 35 1 0 0 0 0 6 64 1 0 0 0 0 7 34 2 0 0 0 0 8 35 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 28 1 0 0 0 0 11 32 2 0 0 0 0 12 28 2 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 19 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 20 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 1 0 0 0 0 23 51 1 0 0 0 0 24 26 2 0 0 0 0 24 52 1 0 0 0 0 25 29 2 0 0 0 0 25 53 1 0 0 0 0 26 29 1 0 0 0 0 26 54 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 27 33 1 0 0 0 0 28 55 1 0 0 0 0 30 35 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 34 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 M END $$$$