B9SCG6 -OEChem-04022106442D 80 85 0 0 0 0 0 0 0999 V2000 8.4282 4.8871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.8482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7662 -5.4305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7372 3.9360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -5.1518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.1518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0160 5.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9295 6.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1205 6.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 4.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1192 3.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3353 -5.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 -6.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 -6.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 -5.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4372 5.9183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2762 5.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3755 6.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 7.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5245 6.8615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.7406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.4308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.1267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.1267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 2.8232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.8232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.9559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5295 3.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9017 -5.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6453 -5.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9615 -7.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6327 -6.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -4.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -3.5692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4198 -6.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0911 -7.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 2.1582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -3.5441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 -4.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.6582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -2.7594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -2.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -2.4618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 3.3113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.1582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 4.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.6582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 21 1 0 0 0 0 2 28 2 0 0 0 0 3 29 2 0 0 0 0 4 38 2 0 0 0 0 5 14 2 0 0 0 0 5 19 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 22 1 0 0 0 0 8 24 1 0 0 0 0 8 26 1 0 0 0 0 8 29 1 0 0 0 0 9 23 1 0 0 0 0 9 28 1 0 0 0 0 9 66 1 0 0 0 0 10 36 1 0 0 0 0 10 38 1 0 0 0 0 10 74 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 15 17 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 21 2 0 0 0 0 19 28 1 0 0 0 0 20 23 2 0 0 0 0 20 30 1 0 0 0 0 21 56 1 0 0 0 0 22 32 1 0 0 0 0 22 35 2 0 0 0 0 23 33 1 0 0 0 0 24 25 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 27 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 31 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 29 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 30 37 2 0 0 0 0 30 65 1 0 0 0 0 31 36 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 39 2 0 0 0 0 32 40 1 0 0 0 0 33 34 2 0 0 0 0 33 69 1 0 0 0 0 34 37 1 0 0 0 0 34 38 1 0 0 0 0 35 41 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 37 73 1 0 0 0 0 39 42 1 0 0 0 0 39 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 42 2 0 0 0 0 41 79 1 0 0 0 0 42 80 1 0 0 0 0 M END $$$$