B8TJ3E -OEChem-04012114082D 57 60 0 1 0 0 0 0 0999 V2000 13.3010 1.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0334 -0.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6762 1.5666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0764 -0.5407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.8454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6547 1.7728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9654 2.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9439 2.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3225 1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2545 3.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6117 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3870 0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3655 0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6600 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0764 -2.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2406 2.2343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9448 3.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3515 2.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7512 2.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2621 2.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7962 0.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5538 0.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8438 3.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4471 4.4694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6652 4.0727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1502 1.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0258 1.7238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0732 2.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3664 1.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7732 0.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2800 -1.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2690 -2.7395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -0.5354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7151 0.7733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -3.6554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.1908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.6783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 51 1 0 0 0 0 2 14 2 0 0 0 0 6 3 1 1 0 0 0 3 14 1 0 0 0 0 3 35 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 25 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 34 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 2 0 0 0 0 18 48 1 0 0 0 0 19 21 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 53 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 28 30 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 M END $$$$