BBR4A3 -OEChem-04012118212D 43 46 0 0 0 0 0 0 0999 V2000 11.8385 1.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.5674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.9799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.1988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 1.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 2.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 2.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1089 -0.5045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8665 -0.7521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2575 2.1376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 1.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6344 -0.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2276 -0.0580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7830 2.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0254 2.2994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.4485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7996 2.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3782 -0.1475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3847 2.9321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9634 0.1865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0311 2.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 43 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 4 20 1 0 0 0 0 5 14 2 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 17 22 2 0 0 0 0 17 37 1 0 0 0 0 18 21 2 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 23 2 0 0 0 0 20 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$