B9NJ3Q -OEChem-04022106093D 27 28 0 0 0 0 0 0 0999 V2000 -0.8563 -1.5089 0.0870 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0309 -0.1149 0.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8109 2.4154 -0.1838 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 0.1085 -0.2472 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 1.2681 0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0308 -0.8969 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2723 0.7912 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2649 -1.2792 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0954 0.0541 -0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8016 1.1955 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -1.1336 0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 1.3180 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0632 0.0969 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4607 -2.3142 0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 1.9286 0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3394 1.8476 -0.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3458 -0.4494 -1.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4691 -1.8012 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9156 1.6424 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9994 0.2980 1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9928 -1.8002 0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9033 -1.9487 -0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3129 2.1515 -0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1369 0.2503 0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3626 -3.0247 -0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5146 -2.0187 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2212 -2.8336 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 M END $$$$