D0I2JX -OEChem-10101305022D 44 46 0 0 0 0 0 0 0999 V2000 4.5981 1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 0.6980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 2.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 2.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 2.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 2.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 3.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 2.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1463 0.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9941 0.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7704 1.2443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 21 2 0 0 0 0 3 24 3 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 14 2 0 0 0 0 6 15 1 0 0 0 0 7 13 2 0 0 0 0 7 16 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 13 1 0 0 0 0 10 18 2 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 2 0 0 0 0 15 36 1 0 0 0 0 16 19 2 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$