BK7XE1 -OEChem-04012119322D 73 77 0 1 0 0 0 0 0999 V2000 6.8671 -3.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.1796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.1796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6230 1.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 1.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0308 2.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0987 4.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -3.6796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -3.1796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -3.1796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -2.1796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -3.6796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -2.1796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -3.1796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -2.1796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -1.6796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -1.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7671 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9670 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7551 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 1.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6269 2.3829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9790 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7628 2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8948 2.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4948 2.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4987 3.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3589 2.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3666 4.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2269 2.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2307 3.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.7996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.4896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.7996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -2.4896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.2046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.2046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 -0.6796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 -0.6796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -4.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -3.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -1.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3064 -0.4611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4277 -0.4611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6293 3.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1632 3.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3661 3.3628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9630 4.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3565 1.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3690 4.9962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7626 2.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1011 4.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 6 0 0 0 18 1 1 6 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 19 4 1 1 0 0 0 4 27 1 0 0 0 0 16 5 1 1 0 0 0 5 57 1 0 0 0 0 17 6 1 6 0 0 0 6 58 1 0 0 0 0 20 7 1 1 0 0 0 7 59 1 0 0 0 0 22 8 1 1 0 0 0 8 60 1 0 0 0 0 23 9 1 6 0 0 0 9 61 1 0 0 0 0 10 25 1 0 0 0 0 10 62 1 0 0 0 0 11 30 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 70 1 0 0 0 0 13 35 2 0 0 0 0 14 41 1 0 0 0 0 14 73 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 18 45 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 21 25 1 1 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 1 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 63 1 0 0 0 0 29 33 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 31 33 2 0 0 0 0 31 35 1 0 0 0 0 32 34 1 0 0 0 0 32 36 1 1 0 0 0 32 65 1 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 68 1 0 0 0 0 38 40 2 0 0 0 0 38 69 1 0 0 0 0 39 41 2 0 0 0 0 39 71 1 0 0 0 0 40 41 1 0 0 0 0 40 72 1 0 0 0 0 M END $$$$