* Saved Wed Mar 6 19:30:42 1996 from ring.bs atom C -1.314 -0.015 6.623 atom C 1.331 -0.014 6.623 atom C 6.635 -1.316 0.005 atom C 6.633 1.329 0.011 atom C 0.004 6.619 1.344 atom C 0.004 6.627 -1.300 atom C 1.332 0.019 -6.609 atom C -1.313 0.018 -6.610 atom C -6.616 1.321 0.009 atom C -6.614 -1.325 0.003 atom C 0.014 -6.615 -1.331 atom C 0.013 -6.622 1.313 atom C 2.714 2.229 5.774 atom C 2.245 5.761 2.727 atom C 5.775 2.708 2.254 atom C -2.701 2.226 5.773 atom C -5.761 2.701 2.252 atom C -2.236 5.758 2.726 atom C -2.698 -2.254 5.763 atom C -5.757 -2.715 2.240 atom C -2.228 -5.771 2.699 atom C 2.717 -2.251 5.764 atom C 2.254 -5.768 2.700 atom C 5.779 -2.708 2.241 atom C -2.697 -2.225 -5.761 atom C -2.228 -5.757 -2.714 atom C -5.756 -2.704 -2.241 atom C 2.718 -2.222 -5.759 atom C 5.779 -2.697 -2.239 atom C 2.254 -5.755 -2.713 atom C 2.715 2.258 -5.749 atom C 5.775 2.719 -2.226 atom C 2.246 5.775 -2.686 atom C -2.700 2.255 -5.751 atom C -2.236 5.773 -2.687 atom C -5.761 2.712 -2.228 atom C 1.390 4.369 4.961 atom C 4.956 1.378 4.388 atom C 4.387 4.949 1.403 atom C -4.940 1.372 4.387 atom C -1.379 4.367 4.961 atom C -4.376 4.943 1.402 atom C -4.939 -1.396 4.381 atom C -1.373 -4.390 4.941 atom C -4.369 -4.951 1.378 atom C 1.396 -4.388 4.941 atom C 4.394 -4.947 1.380 atom C 4.958 -1.390 4.382 atom C -1.372 -4.365 -4.948 atom C -4.938 -1.374 -4.376 atom C -4.369 -4.944 -1.390 atom C 4.958 -1.368 -4.373 atom C 1.396 -4.364 -4.948 atom C 4.394 -4.939 -1.388 atom C 4.956 1.400 -4.367 atom C 1.390 4.394 -4.927 atom C 4.387 4.956 -1.365 atom C -1.378 4.393 -4.928 atom C -4.376 4.950 -1.366 atom C -4.940 1.394 -4.369 atom O 5.800 0.000 2.200 atom O 8.050 0.000 3.040 spec C 1.000 .67 spec O 1.000 .50 bonds C C 0.000 3.000 0.143 1.00 bonds C O 0.000 3.000 0.143 1.00 bonds O O 0.000 3.000 0.143 1.00 tmat 1.000 0.000 0.000 0.000 1.000 0.000 0.000 0.000 1.000 dist 51.629 inc 5.000 scale 15.671 rfac 1.00 bfac 1.00 pos 0.000 0.000 switches 1 0 1 0 0 1 1 0 0