BVR5I2 -OEChem-04022110142D 56 59 0 1 0 0 0 0 0999 V2000 5.6144 0.4297 0.0000 P 0 0 1 0 0 0 0 0 0 0 0 0 4.7483 -0.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7022 0.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6144 0.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 1.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1144 -0.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4442 -1.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8893 -1.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4622 0.2080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1667 -1.3743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -1.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9884 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8823 0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1144 1.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0115 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9999 -1.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8823 1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6532 0.7958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0823 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1144 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7483 1.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7022 2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6532 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9884 1.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0823 1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3758 0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3577 -0.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1848 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0803 -0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0983 0.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8329 0.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3915 -2.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 -2.7247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6315 -2.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9928 -0.4965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0072 -1.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0070 -1.7132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6198 -1.0861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9927 -0.4733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5562 0.1834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2220 1.9064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5318 1.5078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5466 0.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1469 2.4047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3498 2.4047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5106 2.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1548 2.1602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9955 2.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5466 1.7626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4406 1.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1019 -1.9909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3505 -0.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6647 0.6858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8462 1.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 6 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 3 19 1 0 0 0 0 4 21 1 0 0 0 0 5 22 1 0 0 0 0 7 28 2 0 0 0 0 8 30 2 0 0 0 0 19 9 1 6 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 28 1 0 0 0 0 10 30 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 20 2 0 0 0 0 13 18 2 0 0 0 0 14 21 1 6 0 0 0 14 23 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 0 0 0 0 19 24 1 0 0 0 0 19 42 1 0 0 0 0 20 26 1 0 0 0 0 20 45 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 M END $$$$