BPUA81 -OEChem-04022104023D 38 40 0 1 0 0 0 0 0999 V2000 0.5178 -0.7582 -0.4156 S 0 0 1 0 0 0 0 0 0 0 0 0 0.6152 -2.2149 -0.1283 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7145 0.9139 -0.3007 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 -1.1742 0.5017 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0198 0.4707 -0.5486 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0132 -0.1713 0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2351 1.3256 0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -1.0142 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6436 0.1135 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6725 2.1227 1.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7676 -1.7993 1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0002 1.8948 -1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7716 -1.0174 -1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0793 -0.1144 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 3.4892 1.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8868 -2.5877 0.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2027 3.2611 -1.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8907 -1.8057 -1.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6402 4.0584 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4484 -2.5908 -0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0074 -0.7679 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1906 -1.6344 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7692 -0.3019 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4881 -0.2431 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4359 1.1867 0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8608 1.6916 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3432 -1.8097 2.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 1.3057 -1.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3524 -0.4283 -1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 4.1099 1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3209 -3.1993 1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0233 3.7042 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3262 -1.8109 -2.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7988 5.1221 -0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3193 -3.2052 -0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5068 -1.8111 -1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0239 -1.1774 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9824 -2.6060 0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 4 14 2 0 0 0 0 4 21 1 0 0 0 0 5 21 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 11 16 1 0 0 0 0 11 27 1 0 0 0 0 12 17 2 0 0 0 0 12 28 1 0 0 0 0 13 18 2 0 0 0 0 13 29 1 0 0 0 0 15 19 2 0 0 0 0 15 30 1 0 0 0 0 16 20 2 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END $$$$