BX4P3L -OEChem-04012119022D 26 29 0 0 0 0 0 0 0999 V2000 5.5878 -2.0626 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7473 0.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5388 -0.7536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 -0.4446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0687 -1.2536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4851 -2.0584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.3876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4851 -0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5388 -1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7957 0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2093 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7985 2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7490 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5893 1.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.6566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 0.1493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6080 2.7096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2513 2.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -2.6566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.2536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 6 9 2 0 0 0 0 7 15 1 0 0 0 0 7 19 2 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 14 18 2 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$