TITL 03src0073 in P-1 CELL 0.71073 10.0230 10.8755 15.3970 79.211 77.133 69.254 ZERR 2.00 0.0004 0.0005 0.0007 0.002 0.002 0.002 LATT 1 SFAC C H N O P CL UNIT 20 44 20 0 12 16 MERG 2 FMAP 2 PLAN 10 EXTI SIZE 0.35 0.14 0.12 BOND $H CONF OMIT -1 1 2 OMIT 2 -2 3 OMIT -2 1 0 ACTA WGHT 0.09590 3.83250 L.S. 4 TEMP -153.00 FVAR 0.28861 H4N 2 0.524682 0.395668 0.160050 11.00000 0.04002 H7N 2 -0.498287 1.326758 0.351116 11.00000 0.01811 MOLE 1 C1 1 0.402262 0.388822 0.089600 11.00000 0.04024 0.06458 = 0.05174 -0.03748 0.00256 -0.01945 AFIX 23 H1A 2 0.468564 0.303646 0.073118 11.00000 -1.20000 H1B 2 0.388733 0.448972 0.034749 11.00000 -1.20000 AFIX 0 C2 1 0.260936 0.373172 0.134188 11.00000 0.05273 0.06915 = 0.09740 -0.04980 0.02027 -0.03498 AFIX 23 H2A 2 0.277288 0.282313 0.161547 11.00000 -1.20000 H2B 2 0.200998 0.389487 0.088999 11.00000 -1.20000 AFIX 0 C3 1 0.181079 0.462901 0.204033 11.00000 0.03911 0.03772 = 0.06480 -0.02108 0.00811 -0.01574 AFIX 23 H3A 2 0.077909 0.483946 0.206567 11.00000 -1.20000 H3B 2 0.204297 0.417246 0.261957 11.00000 -1.20000 AFIX 0 C4 1 0.094881 0.710509 0.183640 11.00000 0.04112 0.03964 = 0.05272 -0.01109 -0.01049 -0.00197 AFIX 23 H4A 2 0.033028 0.705183 0.145147 11.00000 -1.20000 H4B 2 0.133264 0.781608 0.156123 11.00000 -1.20000 AFIX 0 C5 1 0.004232 0.745484 0.272591 11.00000 0.04300 0.02913 = 0.05081 -0.01083 -0.00676 0.00005 AFIX 23 H5A 2 0.064249 0.754325 0.310972 11.00000 -1.20000 H5B 2 -0.033821 0.674533 0.301134 11.00000 -1.20000 AFIX 0 C6 1 -0.120627 0.873954 0.262657 11.00000 0.04232 0.03134 = 0.05655 -0.01009 -0.00383 -0.00480 AFIX 23 H6A 2 -0.082302 0.944090 0.232445 11.00000 -1.20000 H6B 2 -0.181591 0.864053 0.225355 11.00000 -1.20000 AFIX 0 C7 1 -0.211446 0.913363 0.351554 11.00000 0.04287 0.02755 = 0.05807 -0.00663 0.00043 -0.00139 AFIX 23 H7A 2 -0.250112 0.843204 0.381178 11.00000 -1.20000 H7B 2 -0.149490 0.921239 0.388995 11.00000 -1.20000 AFIX 0 C8 1 -0.466876 1.037455 0.325454 11.00000 0.04951 0.05060 = 0.10001 -0.02259 -0.01712 -0.02632 AFIX 23 H8A 2 -0.464477 0.946609 0.329637 11.00000 -1.20000 H8B 2 -0.476599 1.078169 0.264502 11.00000 -1.20000 AFIX 0 C9 1 -0.596946 1.111469 0.389775 11.00000 0.04085 0.04912 = 0.13667 -0.01384 -0.00020 -0.02244 AFIX 23 H9A 2 -0.678677 1.152165 0.358331 11.00000 -1.20000 H9B 2 -0.622047 1.048416 0.438442 11.00000 -1.20000 AFIX 0 C10 1 -0.572497 1.214959 0.427959 11.00000 0.03378 0.05029 = 0.07245 -0.01005 0.00723 -0.01894 AFIX 23 H10A 2 -0.664004 1.284601 0.441666 11.00000 -1.20000 H10B 2 -0.535723 1.177028 0.483612 11.00000 -1.20000 AFIX 0 N1 3 0.405251 0.705722 0.125349 11.00000 0.05208 0.03738 = 0.03335 -0.00406 -0.00638 -0.02022 N2 3 0.516707 0.768238 0.249032 11.00000 0.09440 0.04331 = 0.04718 -0.00490 -0.01774 -0.04064 N3 3 0.429193 0.553610 0.282901 11.00000 0.04346 0.02542 = 0.02956 -0.00570 -0.00771 -0.01230 N4 3 0.467375 0.438427 0.144157 11.00000 0.03418 0.03411 = 0.04394 -0.01978 -0.00825 -0.00339 N5 3 0.215564 0.586195 0.187277 11.00000 0.02715 0.02914 = 0.05420 -0.01251 -0.00757 -0.00190 N6 3 -0.332369 1.038339 0.345048 11.00000 0.02737 0.02462 = 0.06910 -0.01170 -0.00425 -0.00639 N7 3 -0.470568 1.271674 0.366850 11.00000 0.02657 0.02239 = 0.05135 -0.00402 -0.00404 -0.00589 N8 3 -0.271030 1.243504 0.227235 11.00000 0.02937 0.04440 = 0.04149 -0.00489 -0.00272 -0.01182 N9 3 -0.003430 1.229185 0.245363 11.00000 0.03036 0.06775 = 0.09318 0.00616 -0.00545 -0.02830 N10 3 -0.190240 1.168990 0.388134 11.00000 0.02617 0.04611 = 0.05172 -0.01221 -0.00838 -0.00874 P1 5 0.381476 0.575178 0.185918 11.00000 0.03045 0.02616 = 0.03371 -0.00922 -0.00348 -0.00814 P2 5 0.467077 0.799770 0.155205 11.00000 0.06445 0.03441 = 0.03924 -0.00387 -0.00132 -0.02640 P3 5 0.492223 0.646359 0.314434 11.00000 0.04483 0.02805 = 0.03799 -0.00990 -0.00912 -0.01124 P4 5 -0.309634 1.181974 0.329894 11.00000 0.02238 0.02450 = 0.04357 -0.00810 -0.00432 -0.00795 P5 5 -0.123041 1.263384 0.185518 11.00000 0.03271 0.04968 = 0.06038 0.00619 0.00310 -0.01416 P6 5 -0.039569 1.182384 0.347764 11.00000 0.02538 0.05047 = 0.07260 -0.01987 -0.01360 -0.01105 CL1 6 0.324599 0.982563 0.149362 11.00000 0.12710 0.03213 = 0.07891 -0.00082 -0.02253 -0.01225 CL2 6 0.637419 0.819662 0.067575 11.00000 0.15165 0.12447 = 0.06398 -0.00985 0.01098 -0.09663 CL3 6 0.373890 0.709906 0.429663 11.00000 0.07010 0.05769 = 0.04207 -0.02394 -0.00519 -0.01075 CL4 6 0.680480 0.540684 0.355963 11.00000 0.05456 0.05294 = 0.10090 -0.01707 -0.03287 -0.01189 CL5 6 -0.035671 1.164030 0.077272 11.00000 0.07297 0.11759 = 0.07281 -0.01172 0.02149 -0.01734 CL6 6 -0.163264 1.451569 0.124690 11.00000 0.06210 0.07547 = 0.13383 0.03546 -0.02010 -0.03381 CL7 6 -0.003552 1.287447 0.430712 11.00000 0.06111 0.08440 = 0.21052 -0.03514 -0.02837 -0.02963 CL8 6 0.112622 1.009354 0.376260 11.00000 0.03044 0.05770 = 0.08375 -0.01132 -0.01651 -0.00475 HKLF 4 END