B2DHO6 -OEChem-04022101232D 68 70 0 1 0 0 0 0 0999 V2000 7.7331 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 0.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 0.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 1.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 2.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 1 0 0 0 1 21 1 0 0 0 0 16 2 1 1 0 0 0 2 22 1 0 0 0 0 17 3 1 6 0 0 0 3 23 2 0 0 0 0 18 4 1 6 0 0 0 4 24 2 0 0 0 0 5 23 1 0 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 6 23 1 0 0 0 0 6 51 1 0 0 0 0 6 52 1 0 0 0 0 7 24 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 8 24 1 0 0 0 0 8 55 1 0 0 0 0 8 56 1 0 0 0 0 9 33 1 0 0 0 0 9 35 2 0 0 0 0 10 34 1 0 0 0 0 10 36 2 0 0 0 0 11 35 1 0 0 0 0 11 61 1 0 0 0 0 11 62 1 0 0 0 0 12 35 1 0 0 0 0 12 63 1 0 0 0 0 12 64 1 0 0 0 0 13 36 1 0 0 0 0 13 65 1 0 0 0 0 13 66 1 0 0 0 0 14 36 1 0 0 0 0 14 67 1 0 0 0 0 14 68 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 25 2 0 0 0 0 21 27 1 0 0 0 0 22 26 2 0 0 0 0 22 28 1 0 0 0 0 25 29 1 0 0 0 0 25 45 1 0 0 0 0 26 30 1 0 0 0 0 26 46 1 0 0 0 0 27 31 2 0 0 0 0 27 47 1 0 0 0 0 28 32 2 0 0 0 0 28 48 1 0 0 0 0 29 33 2 0 0 0 0 29 57 1 0 0 0 0 30 34 2 0 0 0 0 30 58 1 0 0 0 0 31 33 1 0 0 0 0 31 59 1 0 0 0 0 32 34 1 0 0 0 0 32 60 1 0 0 0 0 M END $$$$