B3DIH1 -OEChem-04012117132D 40 42 0 1 0 0 0 0 0999 V2000 4.5981 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -2.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -2.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9664 1.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7265 1.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 14 1 0 0 0 0 3 21 1 0 0 0 0 4 17 1 0 0 0 0 4 22 1 0 0 0 0 5 21 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$