{PCM Specified bromide ligands NA 58 FL EINT4 UV1 AT 1,31:-0.36020,-0.07338,0.07916 B 2,1 3,1 8,1 14,1 20,2 C 0.741 AT 2,34:1.21900,-0.55582,2.05394 B 1,1 C -0.196 AT 3,13:-1.19023,0.51617,-2.26766 B 1,1 C -0.197 AT 4,34:2.42481,0.31343,-1.23668 B 5,1 C -0.221 AT 5,26:3.32248,-0.24673,0.85650 B 4,1 6,1 7,1 C 0.520 AT 6,13:4.58587,1.52255,1.60350 B 5,1 C -0.150 AT 7,13:4.56780,-2.16536,0.69488 B 5,1 C -0.150 AT 8,35:-0.00179,1.67645,0.45658 B 1,1 9,1 25,1 26,1 C -0.050 AT 9,1:0.98148,2.71567,0.55560 B 8,1 10,1 27,1 28,1 C 0.107 AT 10,1:0.38877,4.13105,0.33704 B 9,1 11,1 12,1 13,1 AT 11,1:1.49665,5.17276,0.60505 B 10,1 29,1 30,1 31,1 AT 12,1:-0.10182,4.28582,-1.11765 B 10,1 32,1 33,1 34,1 AT 13,1:-0.78107,4.38651,1.30963 B 10,1 35,1 36,1 37,1 AT 14,35:-0.06739,-1.82655,-0.33582 B 1,1 15,1 38,1 39,1 C -0.050 AT 15,1:0.84165,-2.90971,-0.60321 B 14,1 16,1 40,1 41,1 C 0.107 AT 16,1:0.32438,-3.86713,-1.70351 B 15,1 17,1 18,1 19,1 AT 17,1:1.25735,-5.09507,-1.75841 B 16,1 42,1 43,1 44,1 AT 18,1:0.32454,-3.17982,-3.08400 B 16,1 45,1 46,1 47,1 AT 19,1:-1.10407,-4.33780,-1.35945 B 16,1 48,1 49,1 50,1 AT 20,2:-2.09125,-0.23007,0.80609 B 1,2 21,1 24,1 C -0.063 AT 21,1:-2.92655,0.90350,1.32355 B 20,1 22,1 51,1 52,1 AT 22,1:-4.34081,0.32771,1.44650 B 21,1 23,1 53,1 54,1 AT 23,1:-4.08704,-1.14909,1.76015 B 22,1 24,1 55,1 56,1 AT 24,1:-2.90398,-1.49019,0.84999 B 20,1 23,1 57,1 58,1 AT 25,20:-0.26156,1.94607,-0.02363 B 8,1 C -0.100 AT 26,20:-0.19291,1.71366,1.03363 B 8,1 C -0.100 AT 27,5:1.77063,2.49509,-0.20338 B 9,1 AT 28,5:1.46430,2.63069,1.55890 B 9,1 AT 29,5:1.13427,6.21185,0.43244 B 11,1 AT 30,5:1.86146,5.12021,1.65637 B 11,1 AT 31,5:2.37437,5.01650,-0.06305 B 11,1 AT 32,5:-0.47953,5.31545,-1.31203 B 12,1 AT 33,5:0.71529,4.08801,-1.84834 B 12,1 AT 34,5:-0.93576,3.58497,-1.34602 B 12,1 AT 35,5:-1.17235,5.42445,1.20854 B 13,1 AT 36,5:-1.63241,3.69668,1.11746 B 13,1 AT 37,5:-0.46765,4.24607,2.36927 B 13,1 AT 38,20:-0.34098,-2.09987,0.13518 B 14,1 C -0.100 AT 39,20:-0.25854,-1.82974,-0.91415 B 14,1 C -0.100 AT 40,5:1.04402,-3.44479,0.35681 B 15,1 AT 41,5:1.82834,-2.52084,-0.92313 B 15,1 AT 42,5:0.93678,-5.81716,-2.54369 B 17,1 AT 43,5:2.30649,-4.79618,-1.98469 B 17,1 AT 44,5:1.26849,-5.64340,-0.78882 B 17,1 AT 45,5:-0.01685,-3.87601,-3.88357 B 18,1 AT 46,5:-0.35633,-2.30081,-3.10430 B 18,1 AT 47,5:1.34148,-2.82228,-3.36451 B 18,1 AT 48,5:-1.46847,-5.09848,-2.08685 B 19,1 AT 49,5:-1.14567,-4.79378,-0.34407 B 19,1 AT 50,5:-1.83055,-3.49428,-1.37697 B 19,1 AT 51,5:-2.52691,1.19443,2.32268 B 21,1 AT 52,5:-2.88034,1.78053,0.63855 B 21,1 AT 53,5:-4.87213,0.41069,0.46766 B 22,1 AT 54,5:-4.95499,0.84487,2.22155 B 22,1 AT 55,5:-3.78549,-1.25369,2.83037 B 23,1 AT 56,5:-4.97645,-1.79865,1.57967 B 23,1 AT 57,5:-2.30712,-2.35614,1.21805 B 24,1 AT 58,5:-3.25767,-1.70349,-0.18538 B 24,1 FIX DIS 1 4 R 3.090 K 10.000 FIX DIS 2 5 R 2.410 K 10.000 }