B6TOH4 -OEChem-04012120062D 81 81 0 1 0 0 0 0 0999 V2000 6.3301 -3.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -3.0600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 2.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 1.4400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.4400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -3.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -1.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -2.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 2.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 3.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 4.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 4.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -3.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -2.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 0.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 1.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 5.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 5.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 1 0 0 0 1 31 1 0 0 0 0 2 16 2 0 0 0 0 3 27 1 0 0 0 0 3 75 1 0 0 0 0 4 27 2 0 0 0 0 5 30 2 0 0 0 0 6 32 2 0 0 0 0 7 16 1 0 0 0 0 17 7 1 6 0 0 0 7 56 1 0 0 0 0 13 8 1 1 0 0 0 8 30 1 0 0 0 0 8 57 1 0 0 0 0 9 32 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 18 1 1 0 0 0 10 39 1 0 0 0 0 11 14 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 20 1 1 0 0 0 12 41 1 0 0 0 0 13 19 1 0 0 0 0 13 42 1 0 0 0 0 14 23 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 21 2 0 0 0 0 15 45 1 0 0 0 0 17 22 1 0 0 0 0 17 27 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 24 2 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 58 1 0 0 0 0 25 32 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 28 33 1 0 0 0 0 28 64 1 0 0 0 0 29 34 2 0 0 0 0 29 65 1 0 0 0 0 30 35 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 33 36 2 0 0 0 0 33 69 1 0 0 0 0 34 36 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 36 74 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 38 81 1 0 0 0 0 M END $$$$