BKDA49 -OEChem-04012120002D 93 95 0 1 0 0 0 0 0999 V2000 7.1962 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5931 -2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9982 -3.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9870 -3.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 0.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5532 -1.5003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2277 -2.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 -2.8229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4086 -3.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 -4.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 -3.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6034 -3.3829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -3.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -3.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 3.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 4.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3964 0.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 4.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 3.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 2.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9063 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1463 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 23 2 0 0 0 0 3 29 2 0 0 0 0 4 33 2 0 0 0 0 36 5 1 6 0 0 0 5 88 1 0 0 0 0 6 38 1 0 0 0 0 6 89 1 0 0 0 0 7 34 2 0 0 0 0 8 38 2 0 0 0 0 9 39 2 0 0 0 0 10 48 1 0 0 0 0 10 93 1 0 0 0 0 11 48 2 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 12 23 1 0 0 0 0 13 22 1 0 0 0 0 13 25 1 0 0 0 0 13 58 1 0 0 0 0 14 24 1 0 0 0 0 14 33 1 0 0 0 0 14 62 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 69 1 0 0 0 0 16 31 1 0 0 0 0 16 39 1 0 0 0 0 16 73 1 0 0 0 0 17 34 1 0 0 0 0 17 37 1 0 0 0 0 17 74 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 50 1 1 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 23 24 1 0 0 0 0 24 26 1 6 0 0 0 24 57 1 0 0 0 0 25 27 1 6 0 0 0 25 29 1 0 0 0 0 25 59 1 0 0 0 0 26 38 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 35 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 30 1 1 0 0 0 28 34 1 0 0 0 0 28 65 1 0 0 0 0 30 32 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 33 1 0 0 0 0 31 36 1 0 0 0 0 31 68 1 6 0 0 0 32 40 1 0 0 0 0 32 41 1 0 0 0 0 32 70 1 0 0 0 0 35 44 2 0 0 0 0 35 45 1 0 0 0 0 36 43 1 0 0 0 0 36 71 1 0 0 0 0 37 39 1 0 0 0 0 37 42 1 6 0 0 0 37 72 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 42 48 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 43 83 1 0 0 0 0 43 84 1 0 0 0 0 43 85 1 0 0 0 0 44 46 1 0 0 0 0 44 86 1 0 0 0 0 45 47 2 0 0 0 0 45 87 1 0 0 0 0 46 49 2 0 0 0 0 46 90 1 0 0 0 0 47 49 1 0 0 0 0 47 91 1 0 0 0 0 49 92 1 0 0 0 0 M END $$$$