BKM6V9 -OEChem-04012115452D 85 87 0 1 0 0 0 0 0999 V2000 8.0622 1.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 8.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9744 9.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2532 7.6639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8712 7.6639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -9.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 8.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -5.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -4.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -3.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -4.3413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -5.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -3.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -6.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -5.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.3413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -2.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -5.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -6.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -2.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -8.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -7.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 0.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -0.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -7.3413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -8.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -0.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 0.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -9.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -8.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -8.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -9.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -9.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 0.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 1.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 2.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 3.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -0.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 0.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 4.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -1.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 5.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -3.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6635 7.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 24 1 0 0 0 0 3 26 1 0 0 0 0 4 7 1 0 0 0 0 4 39 1 0 0 0 0 5 39 2 0 0 0 0 6 37 1 0 0 0 0 6 39 1 0 0 0 0 6 85 1 0 0 0 0 7 37 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 11 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 15 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 16 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 17 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 18 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 19 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 20 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 22 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 66 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 22 69 1 0 0 0 0 23 70 1 0 0 0 0 23 71 1 0 0 0 0 24 72 1 0 0 0 0 24 73 1 0 0 0 0 25 27 1 0 0 0 0 25 74 1 0 0 0 0 25 75 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 33 1 0 0 0 0 28 76 1 0 0 0 0 29 34 2 0 0 0 0 29 77 1 0 0 0 0 30 35 1 0 0 0 0 30 78 1 0 0 0 0 31 36 2 0 0 0 0 31 79 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 32 37 1 0 0 0 0 33 80 1 0 0 0 0 34 81 1 0 0 0 0 35 38 2 0 0 0 0 35 82 1 0 0 0 0 36 38 1 0 0 0 0 36 83 1 0 0 0 0 38 84 1 0 0 0 0 M END $$$$