B87BSD -OEChem-04022101232D 80 84 0 1 0 0 0 0 0999 V2000 6.8671 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -1.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -2.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -2.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1511 0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0911 0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0911 2.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 0.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -3.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -3.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6916 0.5003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0840 -0.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 -1.1543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0840 2.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 1.3443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5329 0.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8128 0.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5329 1.9879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 6 0 0 0 1 21 1 0 0 0 0 16 2 1 6 0 0 0 2 22 1 0 0 0 0 17 3 1 1 0 0 0 3 23 2 0 0 0 0 18 4 1 1 0 0 0 4 24 2 0 0 0 0 5 23 1 0 0 0 0 5 57 1 0 0 0 0 5 58 1 0 0 0 0 6 23 1 0 0 0 0 6 59 1 0 0 0 0 6 60 1 0 0 0 0 7 24 1 0 0 0 0 7 61 1 0 0 0 0 7 62 1 0 0 0 0 8 24 1 0 0 0 0 8 63 1 0 0 0 0 8 64 1 0 0 0 0 9 35 1 0 0 0 0 9 43 2 0 0 0 0 10 36 1 0 0 0 0 10 44 2 0 0 0 0 11 43 1 0 0 0 0 11 73 1 0 0 0 0 11 74 1 0 0 0 0 12 43 1 0 0 0 0 12 75 1 0 0 0 0 12 76 1 0 0 0 0 13 44 1 0 0 0 0 13 77 1 0 0 0 0 13 78 1 0 0 0 0 14 44 1 0 0 0 0 14 79 1 0 0 0 0 14 80 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 46 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 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 21 25 1 0 0 0 0 21 27 2 0 0 0 0 22 26 1 0 0 0 0 22 28 2 0 0 0 0 25 29 1 0 0 0 0 25 33 2 0 0 0 0 26 30 1 0 0 0 0 26 34 2 0 0 0 0 27 31 1 0 0 0 0 27 53 1 0 0 0 0 28 32 1 0 0 0 0 28 54 1 0 0 0 0 29 35 1 0 0 0 0 29 37 2 0 0 0 0 30 36 1 0 0 0 0 30 38 2 0 0 0 0 31 35 2 0 0 0 0 31 55 1 0 0 0 0 32 36 2 0 0 0 0 32 56 1 0 0 0 0 33 39 1 0 0 0 0 33 65 1 0 0 0 0 34 40 1 0 0 0 0 34 66 1 0 0 0 0 37 41 1 0 0 0 0 37 67 1 0 0 0 0 38 42 1 0 0 0 0 38 68 1 0 0 0 0 39 41 2 0 0 0 0 39 69 1 0 0 0 0 40 42 2 0 0 0 0 40 70 1 0 0 0 0 41 71 1 0 0 0 0 42 72 1 0 0 0 0 M END $$$$