BGEK52 -OEChem-04022108163D 38 41 0 0 0 0 0 0 0999 V2000 2.4484 2.1759 -0.4888 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7457 -0.1687 -0.4200 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7075 -1.4816 -0.3782 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0357 0.4507 2.2628 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7497 -0.3002 -0.8086 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2133 0.5031 -0.0671 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 1.7101 0.2144 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6741 -0.5581 0.7002 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2077 -2.4125 0.5909 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0141 -1.5164 -1.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2707 -1.6412 -0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0277 -0.3503 -0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0396 0.9898 -0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3977 0.8400 -0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4096 -0.1574 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1093 -0.4106 -0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8632 0.8834 -0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7554 1.1858 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1685 0.2881 -1.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 -1.0307 0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6963 0.3151 1.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1500 -0.0830 1.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8651 0.7687 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -1.4397 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6045 -2.4124 -1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8669 -2.4506 -0.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9944 -1.9072 0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5149 1.7648 -0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 1.2753 -2.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8126 1.5036 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4618 1.4214 0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 1.2158 -1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8044 -0.5065 -1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2464 -1.0599 1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7173 0.6653 1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8688 1.1230 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 -2.8133 0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9861 -2.9911 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 3 16 2 0 0 0 0 4 21 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 7 18 2 0 0 0 0 7 23 1 0 0 0 0 8 20 1 0 0 0 0 8 23 2 0 0 0 0 9 20 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 15 18 1 0 0 0 0 15 20 2 0 0 0 0 16 17 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 21 22 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$