BA1XY4 -OEChem-04022105092D 122124 0 1 0 0 0 0 0999 V2000 2.5369 3.8100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -5.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -5.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -1.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -5.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 3.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 3.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 -2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 -2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 1.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 2.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -2.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 -2.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 3.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 4.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 -3.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 -4.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8512 0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4526 0.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 -4.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 -3.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1847 -3.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5832 -4.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 1111 1 0 0 0 0 2 25 2 0 0 0 0 3 30 2 0 0 0 0 4 31 2 0 0 0 0 5 35 2 0 0 0 0 6 40 2 0 0 0 0 7 51 1 0 0 0 0 7117 1 0 0 0 0 8 54 1 0 0 0 0 8120 1 0 0 0 0 9 53 2 0 0 0 0 10 54 2 0 0 0 0 11 57 1 0 0 0 0 11121 1 0 0 0 0 12 63 1 0 0 0 0 12122 1 0 0 0 0 23 13 1 6 0 0 0 13 25 1 0 0 0 0 13 75 1 0 0 0 0 21 14 1 1 0 0 0 14 35 1 0 0 0 0 14 76 1 0 0 0 0 24 15 1 6 0 0 0 15 30 1 0 0 0 0 15 81 1 0 0 0 0 16 31 1 0 0 0 0 33 16 1 1 0 0 0 16 88 1 0 0 0 0 17 40 1 0 0 0 0 45 17 1 6 0 0 0 17 99 1 0 0 0 0 37 18 1 6 0 0 0 18 53 1 0 0 0 0 18100 1 0 0 0 0 19 39 1 0 0 0 0 19105 1 0 0 0 0 19106 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 6 0 0 0 20 64 1 0 0 0 0 21 25 1 0 0 0 0 21 65 1 0 0 0 0 22 32 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 28 1 0 0 0 0 23 30 1 0 0 0 0 23 68 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 24 69 1 0 0 0 0 26 29 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 36 1 0 0 0 0 28 77 1 0 0 0 0 28 78 1 0 0 0 0 29 34 1 0 0 0 0 29 79 1 0 0 0 0 29 80 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 33 38 1 0 0 0 0 33 40 1 0 0 0 0 33 85 1 0 0 0 0 34 39 1 0 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 35 37 1 0 0 0 0 36 43 2 0 0 0 0 36 44 1 0 0 0 0 37 42 1 0 0 0 0 37 89 1 0 0 0 0 38 41 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 41 49 2 0 0 0 0 41 50 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 43 47 1 0 0 0 0 43 96 1 0 0 0 0 44 48 2 0 0 0 0 44 97 1 0 0 0 0 45 46 1 0 0 0 0 45 54 1 0 0 0 0 45 98 1 0 0 0 0 46 52 1 0 0 0 0 46101 1 0 0 0 0 46102 1 0 0 0 0 47 51 2 0 0 0 0 47103 1 0 0 0 0 48 51 1 0 0 0 0 48104 1 0 0 0 0 49 55 1 0 0 0 0 49107 1 0 0 0 0 50 56 2 0 0 0 0 50108 1 0 0 0 0 52 58 2 0 0 0 0 52 59 1 0 0 0 0 53 60 1 0 0 0 0 55 57 2 0 0 0 0 55109 1 0 0 0 0 56 57 1 0 0 0 0 56110 1 0 0 0 0 58 61 1 0 0 0 0 58112 1 0 0 0 0 59 62 2 0 0 0 0 59113 1 0 0 0 0 60114 1 0 0 0 0 60115 1 0 0 0 0 60116 1 0 0 0 0 61 63 2 0 0 0 0 61118 1 0 0 0 0 62 63 1 0 0 0 0 62119 1 0 0 0 0 M END $$$$