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 +  SHELXL-97 - CRYSTAL STRUCTURE REFINEMENT - UNIX VERSION  +
 +  Copyright(C) George M. Sheldrick 1993-7    Release 97-2  +
 +  p1lys_15             started at 11:51:42 on 19-Aug-2000  +
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 Read instructions and data
 ** Warning: no match for   49 atoms in  DFIX RTAB FLAT CHIV  **
 Data:   35786 unique,      0 suppressed   R(int) = 0.0000   R(sigma) = 0.0310
 Systematic absence violations:    0    Bad equivalents:    0
 wR2 =  0.2671 before cycle   1 for  35786 data and 11765 / 11765 parameters
 GooF = S =     2.950;     Restrained GooF =      2.440  for  15778 restraints
 Max. shift = 0.074 A for NH2_68a    Max. dU = 0.047 for NH1_68b   at 11:56:10
 wR2 =  0.2677 before cycle   2 for  35786 data and 11765 / 11765 parameters
 GooF = S =     2.958;     Restrained GooF =      2.447  for  15776 restraints
 Max. shift = 0.152 A for NH2_68a    Max. dU =-0.167 for NH1_68b   at 12:00:17
 wR2 =  0.3728 before cycle   3 for  35786 data and 11765 / 11765 parameters
 GooF = S =     4.379;     Restrained GooF =      3.628  for  15777 restraints
 Max. shift = 0.300 A for HH2D_68b   Max. dU =-0.246 for CZ_68b    at 12:04:25
 wR2 =  0.6482 before cycle   4 for  35786 data and 11765 / 11765 parameters
 GooF = S =    10.343;     Restrained GooF =      8.531  for  15775 restraints
 Max. shift = 0.211 A for HH2D_68b   Max. dU =-0.134 for NE_68b    at 12:08:33

 ** REFINEMENT UNSTABLE **

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 +  p1lys_15          finished at 12:08:34   Total CPU time:    1011.4 secs  +
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