D00092 -OEChem-05072121442D 49 46 0 1 0 0 0 0 0999 V2000 9.4651 -0.2500 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.1972 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6613 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 2 1 1 0 0 0 2 40 1 0 0 0 0 17 3 1 6 0 0 0 3 41 1 0 0 0 0 18 4 1 1 0 0 0 4 42 1 0 0 0 0 19 5 1 6 0 0 0 5 43 1 0 0 0 0 20 6 1 6 0 0 0 6 44 1 0 0 0 0 21 7 1 1 0 0 0 7 45 1 0 0 0 0 22 8 1 1 0 0 0 8 46 1 0 0 0 0 23 9 1 6 0 0 0 9 47 1 0 0 0 0 10 24 1 0 0 0 0 10 48 1 0 0 0 0 11 25 1 0 0 0 0 11 49 1 0 0 0 0 12 26 1 0 0 0 0 13 26 2 0 0 0 0 14 27 1 0 0 0 0 15 27 2 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 22 1 0 0 0 0 18 30 1 0 0 0 0 19 23 1 0 0 0 0 19 31 1 0 0 0 0 20 24 1 0 0 0 0 20 32 1 0 0 0 0 21 25 1 0 0 0 0 21 33 1 0 0 0 0 22 26 1 0 0 0 0 22 34 1 0 0 0 0 23 27 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M CHG 3 1 2 12 -1 14 -1 M END $$$$