BADF58 -OEChem-04012113292D 52 54 0 1 0 0 0 0 0999 V2000 6.8671 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3221 -0.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9685 -0.3240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6793 0.8327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6793 2.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2791 -1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2576 -1.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5683 -2.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9255 -0.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5468 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9040 -0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2147 -1.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8230 2.9827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2418 0.3934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 2.7514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4283 3.0091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 3.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 3.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7238 1.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7238 2.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 2.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 2.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3825 0.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6653 -1.3619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2586 -1.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -0.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -0.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.7575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1542 -2.8927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7329 -0.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7394 -3.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3181 -0.4812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8213 -2.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 14 5 1 1 0 0 0 5 17 1 0 0 0 0 5 38 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 39 1 0 0 0 0 19 7 1 6 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 1 0 0 0 9 12 1 0 0 0 0 9 16 1 1 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 M END $$$$