BKYQ54 -OEChem-04022104572D 81 83 0 1 0 0 0 0 0999 V2000 5.4641 -2.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7404 0.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3152 3.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9116 3.7530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4864 6.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7922 7.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.6030 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -7.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 -0.1084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8505 1.8478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2174 4.1132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.1030 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2437 -1.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 0.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 0.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 1.5388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -1.6030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1563 2.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0584 2.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0094 3.1350 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7526 2.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1684 4.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3763 5.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3274 5.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5353 6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8102 -0.7653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9337 -2.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7453 -1.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3277 -1.2273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4144 -0.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 0.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2212 0.6891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3602 1.1240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5711 2.6687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6955 2.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7414 1.7472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3112 1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.9953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.6856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3377 2.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2133 2.0510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1674 2.9266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7566 4.5280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2900 6.0143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7567 5.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4137 5.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9470 5.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6153 7.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 21 2 0 0 0 0 3 26 2 0 0 0 0 4 27 2 0 0 0 0 5 36 2 0 0 0 0 6 45 1 0 0 0 0 6 81 1 0 0 0 0 7 45 2 0 0 0 0 8 15 1 0 0 0 0 9 15 2 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 10 21 1 0 0 0 0 11 20 1 0 0 0 0 23 11 1 6 0 0 0 11 54 1 0 0 0 0 22 12 1 6 0 0 0 12 27 1 0 0 0 0 12 59 1 0 0 0 0 13 26 1 0 0 0 0 13 33 1 0 0 0 0 13 63 1 0 0 0 0 29 14 1 1 0 0 0 14 36 1 0 0 0 0 14 69 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 1 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 22 53 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 28 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 29 62 1 0 0 0 0 30 34 1 0 0 0 0 30 64 1 0 0 0 0 31 35 2 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 38 2 0 0 0 0 33 39 1 0 0 0 0 34 37 2 0 0 0 0 34 70 1 0 0 0 0 35 37 1 0 0 0 0 35 71 1 0 0 0 0 36 40 1 0 0 0 0 37 72 1 0 0 0 0 38 41 1 0 0 0 0 38 73 1 0 0 0 0 39 42 2 0 0 0 0 39 74 1 0 0 0 0 40 43 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 41 44 2 0 0 0 0 41 77 1 0 0 0 0 42 44 1 0 0 0 0 42 78 1 0 0 0 0 43 45 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 M CHG 2 8 -1 15 1 M END $$$$