BRY89W -OEChem-04022100482D 55 55 0 1 0 0 0 0 0999 V2000 5.0929 -2.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 -2.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0051 -4.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1807 -4.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -3.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1738 -1.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -2.6983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5929 -3.6493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5929 -3.6493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9019 -2.6983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3328 -2.3892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1249 -1.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0609 -1.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0119 -1.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2198 -0.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1709 0.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3788 1.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3299 1.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5378 2.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4888 2.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6967 3.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6478 4.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8557 5.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1509 -1.8587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9805 -3.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 -4.2017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3403 -3.1367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4617 -2.9957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 -1.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2112 -0.7971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9746 -0.7971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4412 -1.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0982 -1.7160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6315 -1.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2573 -5.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1335 0.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6002 -0.1023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7973 -4.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2572 -0.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7905 0.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2925 1.7772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7592 1.1849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4161 0.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9495 1.4506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4515 3.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9181 2.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5751 2.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1084 2.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0449 -0.4956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6104 4.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0771 3.7592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1085 3.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4454 5.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3949 5.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 10 2 1 6 0 0 0 2 13 1 0 0 0 0 8 3 1 1 0 0 0 3 35 1 0 0 0 0 9 4 1 6 0 0 0 4 38 1 0 0 0 0 11 5 1 6 0 0 0 5 45 1 0 0 0 0 6 12 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 24 1 6 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 M END $$$$