B1QK6V -OEChem-04022101392D 55 58 0 0 0 0 0 0 0999 V2000 7.2114 3.9324 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6236 3.8559 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1349 2.5202 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 -3.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -2.2003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 0.3365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -0.4682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -1.2730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -1.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -3.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 -2.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -1.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -3.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0309 -3.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 -0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5471 2.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9043 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5256 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 3.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8828 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1934 1.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6135 -1.1222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9232 -0.7237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5559 -2.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5559 -3.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1135 -1.9882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4232 -1.5897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4483 -1.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1385 -1.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9483 -4.1444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6385 -4.5429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5058 -3.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5058 -2.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8409 0.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2374 1.9067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6441 1.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7117 0.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 3.2393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2968 0.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8001 2.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 29 1 0 0 0 0 3 29 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 32 1 0 0 0 0 5 55 1 0 0 0 0 6 32 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 9 45 1 0 0 0 0 10 17 2 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 16 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 21 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 27 2 0 0 0 0 22 26 2 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 49 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 32 1 0 0 0 0 26 50 1 0 0 0 0 27 30 1 0 0 0 0 27 51 1 0 0 0 0 28 31 1 0 0 0 0 28 52 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 M END $$$$