BC6KT9 -OEChem-04022106282D 68 70 0 1 0 0 0 0 0999 V2000 5.4791 4.1126 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1342 -3.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -2.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -6.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0002 -6.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -4.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7323 -4.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8663 -6.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 -2.4752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 -4.9752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 -6.9752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 -3.4752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5361 -3.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 -3.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -4.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1342 -5.4752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6701 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -1.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0002 -4.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1342 -6.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -5.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 2.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 3.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8663 -5.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 4.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 5.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 5.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 5.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 6.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 5.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 7.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 7.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8652 -3.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3241 -3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9255 -4.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9391 -2.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7482 -5.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1467 -4.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1467 -1.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7482 -0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1342 -4.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0595 -0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -1.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7312 -5.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3988 -4.5003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6017 -4.5003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 0.7148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 0.7148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 2.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 2.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2714 3.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 -7.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7312 -6.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5345 5.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 -6.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 6.8510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 5.2017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2692 -5.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 8.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 6.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 7.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 34 1 0 0 0 0 2 14 2 0 0 0 0 3 19 2 0 0 0 0 4 25 1 0 0 0 0 4 62 1 0 0 0 0 5 24 2 0 0 0 0 6 25 2 0 0 0 0 7 30 1 0 0 0 0 7 65 1 0 0 0 0 8 30 2 0 0 0 0 12 9 1 6 0 0 0 9 19 1 0 0 0 0 9 43 1 0 0 0 0 10 14 1 0 0 0 0 17 10 1 1 0 0 0 10 51 1 0 0 0 0 11 24 1 0 0 0 0 11 59 1 0 0 0 0 11 60 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 15 25 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 21 1 0 0 0 0 17 24 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 30 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 27 1 0 0 0 0 22 54 1 0 0 0 0 23 28 2 0 0 0 0 23 55 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 2 0 0 0 0 33 36 1 0 0 0 0 34 61 1 0 0 0 0 35 37 1 0 0 0 0 35 63 1 0 0 0 0 36 38 2 0 0 0 0 36 64 1 0 0 0 0 37 39 2 0 0 0 0 37 66 1 0 0 0 0 38 39 1 0 0 0 0 38 67 1 0 0 0 0 39 68 1 0 0 0 0 M END $$$$