D0I2DF -OEChem-10101305022D 42 43 0 0 0 0 0 0 0999 V2000 4.5981 2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 4 20 2 0 0 0 0 5 9 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 20 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 7 33 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 24 1 0 0 0 0 12 19 2 0 0 0 0 12 25 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$