BU5WP6 -OEChem-04022102283D 52 54 0 0 0 0 0 0 0999 V2000 4.2529 2.6996 -0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4697 0.1912 -2.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9953 -0.3084 0.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5163 -2.9625 0.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6357 -2.1499 -0.0529 O 0 5 0 0 0 0 0 0 0 0 0 0 -10.4775 -0.9097 1.7515 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8916 0.5731 0.1919 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9962 -1.3613 0.6844 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5546 2.2076 -0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1112 1.7739 -0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5336 1.0376 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5248 1.6931 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5869 1.4541 -1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5569 0.9732 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 1.2929 1.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9209 1.0538 -1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9748 1.5094 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0248 0.4528 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7454 0.2164 -0.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1156 -0.1953 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3227 0.7832 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4225 -0.1950 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8457 -1.0710 -1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6715 0.2939 0.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7050 0.2105 0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1821 -1.5272 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6872 -0.9680 0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1314 -1.4574 -0.8828 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9573 -0.0924 1.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7470 -0.7161 0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2240 -2.4539 -0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5065 -2.0483 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 2.9324 0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7133 2.7603 -1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3845 0.4947 0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3665 0.3422 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0093 1.9379 2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1002 1.5118 -2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3416 1.2345 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 0.8230 -2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 0.5031 1.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6651 -0.5651 0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6251 1.8253 -0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4288 -1.4677 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1569 1.0067 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8963 1.2485 0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2062 -1.8849 -0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6703 -2.1419 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3620 0.3150 2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0244 -3.4877 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9734 0.6437 0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1646 -3.8306 -0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 19 2 0 0 0 0 3 30 1 0 0 0 0 3 51 1 0 0 0 0 4 32 1 0 0 0 0 4 52 1 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 7 41 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 17 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 13 16 2 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 21 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 28 1 0 0 0 0 23 44 1 0 0 0 0 24 29 2 0 0 0 0 24 45 1 0 0 0 0 25 30 1 0 0 0 0 25 46 1 0 0 0 0 26 31 2 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 M CHG 2 5 -1 8 1 M END $$$$