{PCM Specified bromide ligands                                 
NA  58
FL EINT4 UV1 
AT 1,31:-0.46825,0.03195,-0.24347 B  2,1  3,1  8,1  14,1  20,2 C 0.817 
AT 2,34:1.01862,-0.45297,2.01692 B  1,1 C -0.099 
AT 3,13:-1.29197,0.51323,-2.53004 B  1,1 C -0.099 
AT 4,34:2.43712,0.20709,-1.29577 B  5,1 C -0.225 
AT 5,26:3.13151,-0.13340,0.90252 B  4,1  6,1  7,1 C 0.675 
AT 6,13:4.19133,1.73693,1.70326 B  5,1 C -0.225 
AT 7,13:4.34279,-2.03959,1.20805 B  5,1 C -0.225 
AT 8,35:-0.12740,1.73534,0.20641 B  1,1  9,1  25,1  26,1 C -0.449 
AT 9,1:0.65719,2.78555,0.82636 B  8,1  10,1  27,1  28,1 C 0.021 
AT 10,1:0.37029,4.15367,0.24814 B  9,1  11,1  12,1  13,1 C -0.018 
AT 11,1:1.23266,5.14520,1.01084 B  10,1  29,1  30,1  31,1 C -0.058 
AT 12,1:0.73507,4.11442,-1.21192 B  10,1  32,1  33,1  34,1 C -0.058 
AT 13,1:-1.10029,4.50918,0.41311 B  10,1  35,1  36,1  37,1 C -0.058 
AT 14,35:-0.15723,-1.72674,-0.53832 B  1,1  15,1  38,1  39,1 C -0.449 
AT 15,1:0.45521,-2.99008,-0.44383 B  14,1  16,1  40,1  41,1 C 0.021 
AT 16,1:0.30411,-3.79019,-1.72201 B  15,1  17,1  18,1  19,1 C -0.018 
AT 17,1:0.86865,-5.16274,-1.45492 B  16,1  42,1  43,1  44,1 C -0.058 
AT 18,1:1.09015,-3.14815,-2.85273 B  16,1  45,1  46,1  47,1 C -0.058 
AT 19,1:-1.19711,-3.84185,-2.12914 B  16,1  48,1  49,1  50,1 C -0.058 
AT 20,2:-2.16962,-0.17764,0.57450 B  1,2  21,1  24,1 C -0.051 
AT 21,1:-3.00067,0.90822,1.24288 B  20,1  22,1  51,1  52,1 C -0.045 
AT 22,1:-4.32854,0.26179,1.64413 B  21,1  23,1  53,1  54,1 C -0.051 
AT 23,1:-4.01220,-1.20619,1.75191 B  22,1  24,1  55,1  56,1 C -0.051 
AT 24,1:-2.98142,-1.43297,0.67313 B  20,1  23,1  57,1  58,1 C -0.045 
AT 25,20:0.01345,2.00390,-0.31133 B  8,1 C -2.000 
AT 26,20:-0.54160,1.86916,0.61938 B  8,1 C -2.000 
AT 27,5:1.73338,2.53424,0.72145 B  9,1 C 0.054 
AT 28,5:0.46487,2.77463,1.91962 B  9,1 C 0.054 
AT 29,5:1.06153,6.17199,0.62568 B  11,1 C 0.024 
AT 30,5:0.97738,5.11830,2.09063 B  11,1 C 0.024 
AT 31,5:2.30541,4.88847,0.88788 B  11,1 C 0.024 
AT 32,5:0.53979,5.10232,-1.67867 B  12,1 C 0.024 
AT 33,5:1.81092,3.86757,-1.32790 B  12,1 C 0.024 
AT 34,5:0.13045,3.34368,-1.73366 B  12,1 C 0.024 
AT 35,5:-1.29817,5.51412,-0.01453 B  13,1 C 0.024 
AT 36,5:-1.73238,3.76331,-0.11222 B  13,1 C 0.024 
AT 37,5:-1.37071,4.51611,1.48951 B  13,1 C 0.024 
AT 38,20:-0.59296,-2.03118,-0.25997 B  14,1 C -2.000 
AT 39,20:0.06375,-1.77521,-1.09405 B  14,1 C -2.000 
AT 40,5:0.01758,-3.52346,0.42584 B  15,1 C 0.054 
AT 41,5:1.52302,-2.83902,-0.18057 B  15,1 C 0.054 
AT 42,5:0.78193,-5.79250,-2.36477 B  17,1 C 0.024 
AT 43,5:1.93891,-5.08446,-1.17166 B  17,1 C 0.024 
AT 44,5:0.31143,-5.64780,-0.62664 B  17,1 C 0.024 
AT 45,5:0.97182,-3.74255,-3.78258 B  18,1 C 0.024 
AT 46,5:0.72057,-2.11752,-3.03452 B  18,1 C 0.024 
AT 47,5:2.16719,-3.10317,-2.58855 B  18,1 C 0.024 
AT 48,5:-1.31671,-4.42644,-3.06504 B  19,1 C 0.024 
AT 49,5:-1.79209,-4.32312,-1.32528 B  19,1 C 0.024 
AT 50,5:-1.58103,-2.81379,-2.29504 B  19,1 C 0.024 
AT 51,5:-2.47380,1.33207,2.12327 B  21,1 C 0.029 
AT 52,5:-3.15895,1.76954,0.56067 B  21,1 C 0.029 
AT 53,5:-5.13045,0.45351,0.90081 B  22,1 C 0.027 
AT 54,5:-4.72058,0.66663,2.60055 B  22,1 C 0.027 
AT 55,5:-3.62994,-1.47665,2.75843 B  23,1 C 0.027 
AT 56,5:-4.91368,-1.83777,1.60772 B  23,1 C 0.027 
AT 57,5:-2.33828,-2.30759,0.90495 B  24,1 C 0.029 
AT 58,5:-3.45924,-1.67725,-0.29864 B  24,1 C 0.029 
FIX DIS 4 1 R 3.090 K 5.000
FIX DIS 5 2 R 2.414 K 5.000
}