ATOM PEAK X Y Z SOF HEIGHT DISTANCES AND ANGLES 1 384. 0.2948 0.2197 0.2874 1.000 2.85 0 5 1.594 0 6 1.595 127.9 2 318. 0.0000 0.0000 0.0000 0.500 0.88 0 14 1.522 3 189. -0.3731 0.2474 0.1854 1.000 1.02 0 15 1.631 4 174. 0.0000 0.0000 0.5000 0.500 1.12 0 9 1.301 5 148. 0.3267 0.1700 0.4168 1.000 1.74 0 1 1.594 0 7 1.517 97.7 6 134. 0.2441 0.3485 0.2432 1.000 2.65 0 1 1.595 7 126. 0.2942 0.0435 0.3846 1.000 2.63 0 5 1.517 0 10 1.724 88.1 8 125. -0.2932 0.2199 -0.1149 1.000 1.76 0 22 1.503 9 120. 0.0567 -0.0040 0.6136 1.000 0.00 0 4 1.301 10 116. 0.3989 0.0097 0.5282 1.000 1.40 0 7 1.724