BAT97J -OEChem-04022118163D 41 42 0 0 0 0 0 0 0999 V2000 -5.0713 1.3526 -0.1274 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3981 1.6025 0.5034 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1603 -0.6418 0.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9879 -0.5753 -0.2718 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5127 -1.9006 0.3104 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2022 -2.1980 0.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1963 -0.9012 -0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2497 0.2153 -0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5795 -0.6844 -0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6251 -1.0130 0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1875 1.3671 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 0.2779 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5584 -1.9719 -0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7773 0.5177 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8249 0.3863 0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9462 -1.8635 -0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5598 0.0330 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7802 -0.5776 0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6492 1.0318 -0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0882 -0.0091 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3263 2.0399 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0732 3.5123 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5179 -0.6712 0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3676 -0.0395 -1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9145 2.2575 -0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0630 1.6306 1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1233 1.1251 0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0933 -2.9007 -0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2426 1.3281 0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5226 -2.7046 -0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4628 -1.4022 -0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 1.0837 -0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9642 0.1682 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2867 1.8803 0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8139 0.8009 -1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1722 -2.6538 0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9359 1.6265 -0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8490 1.9048 0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0135 4.0691 -0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5331 3.6590 -1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4477 3.9328 0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 14 2 0 0 0 0 3 20 2 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 36 1 0 0 0 0 6 10 2 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 19 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 13 16 2 0 0 0 0 13 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$