B2VY4Q -OEChem-04022109472D 47 50 0 1 0 0 0 0 0999 V2000 7.8448 -0.4083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 1.8469 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9883 0.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 2.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2989 3.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 2.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5719 1.3469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1017 0.8469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9493 3.1302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6441 3.4873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8008 2.1982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 1.8469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0420 0.8469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9883 2.1516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5719 1.3469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1760 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1555 2.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1555 0.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1060 1.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8503 2.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5127 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2020 -2.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6936 3.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8698 -2.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5592 -3.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 2.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 0.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6008 2.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8536 0.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 -0.1280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5746 -0.1280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8849 3.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0596 -1.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8952 -0.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6551 -1.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 -2.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5657 4.4047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4168 -3.1395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2524 -2.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2623 2.6122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9287 1.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9699 -3.6054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3666 -4.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1485 -3.9906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 4 14 1 0 0 0 0 5 18 1 0 0 0 0 16 6 1 1 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 17 9 1 6 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 20 2 0 0 0 0 10 21 1 0 0 0 0 11 19 2 0 0 0 0 11 25 1 0 0 0 0 12 22 1 0 0 0 0 12 25 2 0 0 0 0 13 22 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 6 0 0 0 15 18 1 0 0 0 0 15 29 1 1 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END $$$$