BI3QP9 -OEChem-04012120222D 93 96 0 1 0 0 0 0 0999 V2000 4.5981 -5.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3301 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3923 2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3923 3.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 3.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1463 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9063 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 17 1 0 0 0 0 3 27 1 0 0 0 0 4 21 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 5 31 1 0 0 0 0 6 24 1 0 0 0 0 6 33 1 0 0 0 0 7 23 1 0 0 0 0 7 72 1 0 0 0 0 8 25 1 0 0 0 0 8 74 1 0 0 0 0 9 28 1 0 0 0 0 9 79 1 0 0 0 0 10 29 1 0 0 0 0 10 80 1 0 0 0 0 11 30 1 0 0 0 0 11 81 1 0 0 0 0 12 36 1 0 0 0 0 13 36 2 0 0 0 0 14 37 2 0 0 0 0 15 32 1 0 0 0 0 15 37 1 0 0 0 0 15 78 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 22 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 23 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 61 1 0 0 0 0 24 25 1 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 26 32 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 65 1 0 0 0 0 28 29 1 0 0 0 0 28 66 1 0 0 0 0 29 30 1 0 0 0 0 29 67 1 0 0 0 0 30 31 1 0 0 0 0 30 68 1 0 0 0 0 31 34 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 33 73 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 38 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 37 39 1 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 39 42 2 0 0 0 0 39 43 1 0 0 0 0 40 44 1 0 0 0 0 40 84 1 0 0 0 0 41 45 2 0 0 0 0 41 85 1 0 0 0 0 42 47 1 0 0 0 0 42 86 1 0 0 0 0 43 48 2 0 0 0 0 43 87 1 0 0 0 0 44 46 2 0 0 0 0 44 88 1 0 0 0 0 45 46 1 0 0 0 0 45 89 1 0 0 0 0 46 90 1 0 0 0 0 47 49 2 0 0 0 0 47 91 1 0 0 0 0 48 49 1 0 0 0 0 48 92 1 0 0 0 0 49 93 1 0 0 0 0 M CHG 2 1 1 12 -1 M END $$$$