B7PGD9 -OEChem-04022114213D 50 52 0 1 0 0 0 0 0999 V2000 2.4825 2.0009 -0.5462 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2384 -2.1695 -0.3323 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1799 -1.0049 -0.7671 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1309 -1.7305 1.5068 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6095 2.8217 -1.7354 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3274 2.2402 0.6083 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9552 -0.1798 0.0061 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8112 -2.7069 0.9457 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4888 -3.0322 -1.4706 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5736 0.3574 -0.9802 N 0 0 1 0 0 0 0 0 0 0 0 0 2.6062 -0.6515 0.1134 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9962 -1.3790 -1.4764 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0415 -1.9191 -0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 -0.1294 -2.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0321 -0.8039 0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 2.0960 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4813 1.8557 1.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2053 2.4107 -0.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7442 -1.2938 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8456 1.9301 1.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5322 2.4854 -0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4560 -1.9769 1.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6472 -1.1002 -1.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0298 -0.7930 1.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8523 2.2449 0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8358 -0.4059 -0.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2185 -0.0986 1.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1216 0.0948 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3925 0.8372 0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0079 -0.3410 0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7448 -2.0868 -2.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 -2.5984 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8188 -2.4562 -1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9241 0.6051 -2.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2815 -0.3958 -2.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2479 1.6171 2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0176 2.6215 -1.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0939 1.7534 2.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3151 2.7420 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0863 -2.3619 1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8823 -1.0613 2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3963 -2.7313 2.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4419 -1.4732 -2.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 -0.9304 2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 2.3442 1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5310 -0.2610 -1.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4306 0.2857 2.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7293 1.3497 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2609 1.6045 1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1765 0.1452 0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 19 1 0 0 0 0 3 12 1 0 0 0 0 4 15 1 0 0 0 0 4 22 1 0 0 0 0 7 15 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 21 2 0 0 0 0 18 37 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 20 38 1 0 0 0 0 21 25 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 26 1 0 0 0 0 23 43 1 0 0 0 0 24 27 2 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 28 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$