B52XON -OEChem-04022115413D 33 35 0 1 0 0 0 0 0999 V2000 3.9834 1.2926 0.9887 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5166 -0.5321 1.1073 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0189 -2.6924 -1.3563 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1148 -3.3864 0.2863 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6893 0.0163 0.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5512 2.0376 -0.1572 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7331 -1.2882 0.3630 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7047 0.1161 0.0509 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5549 2.4715 -0.3441 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2996 3.0717 -0.8084 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8598 -1.6694 -0.8616 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3507 -1.0565 0.4390 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2306 -2.1734 -0.4562 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7047 -1.0829 0.4961 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4447 0.0453 -0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0448 -0.1491 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 1.3460 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 1.1156 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9457 1.2268 -0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0608 -1.0551 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 2.3461 -0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9559 -0.8992 -1.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1251 -1.7929 1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8927 -2.3616 -1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -1.5028 1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7959 0.5391 -0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3202 -0.3513 -0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4696 -3.0976 -2.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.6550 0.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5586 1.7540 -0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6994 -1.9233 0.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9907 3.3018 -0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5632 2.5264 -0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 3 28 1 0 0 0 0 4 13 1 0 0 0 0 4 29 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 6 18 1 0 0 0 0 7 16 2 0 0 0 0 7 20 1 0 0 0 0 8 19 1 0 0 0 0 8 20 2 0 0 0 0 9 19 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 21 3 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 20 31 1 0 0 0 0 M END $$$$