* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    145    223     423
    1     0 S   NP   _N1_     1    28.54716    94.99222   -23.42040
    2     1 S   H    _HN1     2     1.02959    80.87698    21.65480
    3     1 S   H    _H1_     3     1.02836    29.84652   172.92773
    4     1 S   H    _H2_     4     1.02780   103.79776   -85.10186
    5     1 S   CT   _CA1     5     1.50126   135.31990   131.51118
    6     5 S   HC   _HA1     6     1.09577   105.21374    79.80893
    7     5 S   CO3  _C1_     7     1.53761   112.34086   -40.36316
    8     7 S   O2Z  _O11     8     1.26358   115.00350   -45.00527
    9     7 S   O2Z  _O12     9     1.26231   114.90406   134.05556
   10     5 S   CT   _CB1    10     1.53080   107.41340  -162.34009
   11    10 S   HC   HB11    11     1.09829   109.26046   -50.96955
   12    10 S   HC   HB12    12     1.09817   110.45229    65.54688
   13    10 S   CT   _CG1    13     1.53033   112.72041  -172.06108
   14    13 S   HC   HG11    14     1.09594   110.50060   -65.08510
   15    13 S   HC   HG12    15     1.09658   109.93401    54.15951
   16    13 S   C    _CD1    16     1.51837   112.23080   174.45985
   17    16 S   O    _OE1    17     1.22735   123.21620     0.79056
   18    16 S   N    _N2_    18     1.38634   111.71682  -178.97550
   19    18 S   H    _HN2    19     1.01593   119.13183     0.90828
   20    18 S   CT1  _CA2    20     1.46146   123.31003   178.85534
   21    20 S   HC   _HA2    21     1.09694   109.41632     0.18975
   22    20 S   C    _C2_    22     1.53681   109.42401  -116.05476
   23    22 S   O    _O2_    23     1.23114   121.84109  -153.87491
   24    20 S   CT   _CB2    32     1.53426   111.51865   122.32599
   25    24 S   HC   HB21    33     1.09343   108.97078    58.81900
   26    24 S   HC   HB22    34     1.09374   109.52180   177.28070
   27    22 S   N    _N3_    24     1.38335   114.24738    33.05761
   28    27 S   H    _HN3    25     1.01461   119.06670     0.56128
   29    24 S   S    _SG2    35     1.82836   112.49632   -62.51373
   30    27 S   CT   _CA3    26     1.45412   123.08566   177.04952
   31    30 S   HC   HA31    27     1.09566   108.88254    31.24432
   32    30 S   HC   HA32    28     1.09492   107.21081   148.08246
   33    29 S   CT   _C22    36     1.86495   101.11564   171.89494
   34    30 S   CO3  _C3_    29     1.52866   113.33687   -92.06079
   35    34 S   O2Z  _O31    30     1.26384   115.41879   -45.68424
   36    34 S   O2Z  _O32    31     1.26370   114.92886   135.31671
   37    33 S   CM   _C13    37     1.52407   108.02962   -64.44909
   38    37 S   HC   _H30    38     1.09579   111.94261   -59.70800
   39    33 S   CT   _C20    72     1.53446   109.00672    65.37995
   40    39 S   HC   _H40    73     1.09712   111.45422    56.55818
   41    39 S   HC   _H41    74     1.09657   110.82378   175.01603
   42    39 S   HC   _H42    75     1.09317   113.03277   -64.12466
   43    33 S   CT   _C21    76     1.54292   105.92316  -179.26939
   44    43 S   HC   _H43    77     1.09701   111.84447   -61.34846
   45    43 S   HC   _H44    78     1.09737   112.36963    59.84106
   46    43 S   HC   _H45    79     1.09732   110.66844   179.38198
   47    37 S   CMA  _C14    39     1.35828   132.98265   120.60077
   48    47 S   OM   _O20    40     1.26865   122.79060   178.75416
   49    47 S   OS   _O24    41     1.40987   113.27546     0.12033
   50    49 S   CT   _C16    42     1.43863   116.57973  -144.48354
   51    50 S   HC   _H33    43     1.09949   111.66581   -39.51771
   52    50 S   CT   _C15    44     1.52905   109.77603    81.11531
   53    52 S   HC   _H31    45     1.09600   110.65214    43.78645
   54    52 S   HC   _H32    46     1.09677   109.25532   -73.28832
   55    50 S   CT   _C17    56     1.54922   109.60560  -157.64142
   56    52 S   CA   _C7_    47     1.49860   111.17619   165.17931
   57    55 S   CT   _C18    57     1.53863   114.00621   -55.79918
   58    57 S   HC   _H34    58     1.09655   110.47257  -177.96654
   59    57 S   HC   _H35    59     1.09385   111.85077    61.61005
   60    57 S   HC   _H36    60     1.09449   112.03734   -60.20076
   61    55 S   CT   _C19    61     1.53919   109.21577    64.73203
   62    61 S   HC   _H37    62     1.09641   110.84505   176.02152
   63    61 S   HC   _H38    63     1.09619   110.73714    58.43714
   64    61 S   HC   _H39    64     1.09478   112.08161   -62.82431
   65    56 S   CA   _C4_    48     1.40507   119.50215   164.23057
   66    65 S   HA   _H26    49     1.08828   119.44983    -0.47395
   67    65 S   CA   _C6_    50     1.39599   120.48821   179.62361
   68    67 S   CA   _C8_    51     1.39052   118.83533     0.06853
   69    68 S   CA   _C5_    52     1.39273   121.70173    -0.51813
   70    69 S   HA   _H27    53     1.08624   120.36580  -179.62938
   71    68 S   OS   _O22    65     1.40962   120.64964   179.70326
   72    56 S   CA   _C9_    54     1.40008   120.93142   -17.29857
   73    71 S   CO4  _C12    66     1.39079   121.46825     0.14265
   74    73 S   O    _O21    67     1.22610   122.04334  -179.83929
   75    72 S   OS   _O23    55     1.36916   123.80669     0.60941
   76    73 S   CM   _C11    68     1.47457   116.86347     0.18975
   77    76 S   HC   _H29    69     1.08431   117.14116   179.65965
   78    67 S   CM   _C10    70     1.45296   122.20192  -179.84174
   79    78 S   HC   _H28    71     1.08473   119.08489     0.40830
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
  10  17   8  12   5   4  12   9   9   4   3   2   5   3   2   1
  10   4  10  10   6   3   6   1   5   3   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    55  
   49    50  
   50    51    52    53    54    56    75    55    57    61  
   51    52    53    54    56    65    72    75    55    57    58    59    60    61    62    63    64  
   52    53    54    56    75    55    57    61  
   53    54    56    65    66    67    69    72    75    55    57    61  
   54    56    65    72    55  
   56    65    72    55  
   57    58    59    60    61    62    63    64    56    69    72    75  
   65    66    67    68    69    70    72    75    78  
   58    59    60    61    62    63    64    72    75  
   59    60    61    75  
   60    61    75  
   61    75  
   62    63    64    72    75  
   63    64    75  
   64    75  
   75  
   66    67    68    69    72    75    71    76    78    79  
   67    68    72    78  
   68    69    70    72    71    73    76    77    78    79  
   69    70    72    75    71    73    74    76    78    79  
   70    72    75    71    73    78  
   72    75    71  
   73    74    76    77    78    72  
   75  
   74    76    77    78    79  
   76    77    78  
    0  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   317.000  1.510
   56    65   469.000  1.400
   56    72   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   469.000  1.400
   67    78   320.000  1.460
   68    69   469.000  1.400
   68    71   450.000  1.364
   69    70   367.000  1.080
   69    72   469.000  1.400
   72    75   450.000  1.364
   75    55   320.000  1.410
   55    57   268.000  1.529
   55    61   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   71    73   214.000  1.327
   73    74   570.000  1.229
   73    76   320.000  1.462
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    79   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    56    70.00000  112.17500
   50    55    75    50.00000  109.50000
   50    55    57    58.35000  112.70000
   50    55    61    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    56    65    70.00000  120.00000
   52    56    72    70.00000  120.00000
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    65    66    35.00000  120.00000
   56    65    67    63.00000  120.00000
   56    72    69    63.00000  120.00000
   56    72    75    70.00000  120.00000
   65    67    68    63.00000  120.00000
   65    67    78    60.00000  120.93500
   67    65    66    35.00000  120.00000
   67    68    69    63.00000  120.00000
   67    68    71    70.00000  120.00000
   67    78    76    60.00000  123.20500
   67    78    79    40.00000  117.26300
   68    69    70    35.00000  120.00000
   68    69    72    63.00000  120.00000
   68    71    73    85.00000  115.98000
   69    72    75    70.00000  120.00000
   72    56    65    63.00000  120.00000
   72    69    70    35.00000  120.00000
   72    75    55    75.00000  111.00000
   75    55    57    50.00000  109.50000
   75    55    61    50.00000  109.50000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    60    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    55    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   71    68    69    70.00000  120.00000
   71    73    74    83.00000  123.40000
   71    73    76    90.00000  111.29400
   73    76    77    40.00000  117.72500
   73    76    78    65.00000  118.96000
   76    73    74    80.00000  123.72100
   76    78    79    35.00000  120.00000
   78    67    68    60.00000  120.93500
   78    76    77    35.00000  120.00000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    47   0.42700  1.0 1.0
   29    33    37    47  -0.70350 -1.0 2.0
   29    33    37    47  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   7.00000 -1.0 2.0
   33    37    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50  -2.26850  1.0 1.0
   37    47    49    50   3.39050 -1.0 2.0
   38    37    47    48   7.00000 -1.0 2.0
   38    37    47    49   7.00000 -1.0 2.0
   47    49    50    51   0.08050  1.0 3.0
   47    49    50    52  -0.46850  1.0 1.0
   47    49    50    52   0.09300 -1.0 2.0
   47    49    50    52  -0.12850  1.0 3.0
   47    49    50    55  -0.46850  1.0 1.0
   47    49    50    55   0.09300 -1.0 2.0
   47    49    50    55  -0.12850  1.0 3.0
   48    47    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    56  -0.64350  1.0 1.0
   49    50    52    56  -0.04200 -1.0 2.0
   49    50    52    56   0.19800  1.0 3.0
   49    50    55    75   1.11900  1.0 1.0
   49    50    55    75  -1.16350 -1.0 2.0
   49    50    55    75  -0.34150  1.0 3.0
   49    50    55    57   0.62750  1.0 1.0
   49    50    55    57  -0.30950 -1.0 2.0
   49    50    55    57   0.27300  1.0 3.0
   49    50    55    61   0.62750  1.0 1.0
   49    50    55    61  -0.30950 -1.0 2.0
   49    50    55    61   0.27300  1.0 3.0
   50    52    56    65   0.04150 -1.0 2.0
   50    52    56    72   0.04150 -1.0 2.0
   50    55    57    58   0.15000  1.0 3.0
   50    55    57    59   0.15000  1.0 3.0
   50    55    57    60   0.15000  1.0 3.0
   50    55    61    62   0.15000  1.0 3.0
   50    55    61    63   0.15000  1.0 3.0
   50    55    61    64   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    56   0.43200  1.0 3.0
   51    50    55    75   0.23400  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    61   0.15000  1.0 3.0
   52    50    55    75   0.62750  1.0 1.0
   52    50    55    75  -0.30950 -1.0 2.0
   52    50    55    75   0.27300  1.0 3.0
   52    50    55    57   0.56750  1.0 1.0
   52    50    55    57  -0.07550 -1.0 2.0
   52    50    55    57   0.20000  1.0 3.0
   52    50    55    61   0.56750  1.0 1.0
   52    50    55    61  -0.07550 -1.0 2.0
   52    50    55    61   0.20000  1.0 3.0
   52    56    65    66   3.62500 -1.0 2.0
   52    56    65    67   3.62500 -1.0 2.0
   52    56    72    69   3.62500 -1.0 2.0
   52    56   -72    75   3.62500 -1.0 2.0
   53    52    56    65   0.00000  1.0 1.0
   53    52    56    72   0.00000  1.0 1.0
   54    52    56    65   0.00000  1.0 1.0
   54    52    56    72   0.00000  1.0 1.0
   56    65    67    68   3.62500 -1.0 2.0
   56    65    67    78   3.62500 -1.0 2.0
   56    72    75    55   1.63200 -1.0 2.0
   65    56    72    69   3.62500 -1.0 2.0
   65    56    72    75   3.62500 -1.0 2.0
   65    67   -68    69   3.62500 -1.0 2.0
   65    67    68    71   3.62500 -1.0 2.0
   65    67    78    76   0.15800  1.0 1.0
   65    67    78    76   1.85350 -1.0 2.0
   65    67    78    76  -0.48700  1.0 3.0
   65    67    78    79   0.56550  1.0 3.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    78   3.62500 -1.0 2.0
   67    68    69    70   3.62500 -1.0 2.0
   67    68    69    72   3.62500 -1.0 2.0
   67    68    71    73   0.01300  1.0 1.0
   67    68    71    73   0.97950 -1.0 2.0
   67    68    71    73  -0.55700  1.0 3.0
   68    67    78    76   0.15800  1.0 1.0
   68    67    78    76   1.85350 -1.0 2.0
   68    67    78    76  -0.48700  1.0 3.0
   68    67    78    79   0.56550  1.0 3.0
   68    69   -72    56   3.62500 -1.0 2.0
   68    69    72    75   3.62500 -1.0 2.0
   68    71    73    74   3.00000 -1.0 2.0
   68    71   -73    76   2.00000 -1.0 2.0
   69    68    71    73   0.01300  1.0 1.0
   69    68    71    73   0.97950 -1.0 2.0
   69    68    71    73  -0.55700  1.0 3.0
   69    72    75    55   1.63200 -1.0 2.0
   70    69    72    56   3.62500 -1.0 2.0
   70    69    72    75   3.62500 -1.0 2.0
   72    56    65    66   3.62500 -1.0 2.0
   72    56   -65    67   3.62500 -1.0 2.0
   72    75   -55    50  -0.32850  1.0 1.0
   72    75   -55    50  -0.35800 -1.0 2.0
   72    75   -55    50   0.33950  1.0 3.0
   72    75    55    57  -0.32850  1.0 1.0
   72    75    55    57  -0.35800 -1.0 2.0
   72    75    55    57   0.33950  1.0 3.0
   72    75    55    61  -0.32850  1.0 1.0
   72    75    55    61  -0.35800 -1.0 2.0
   72    75    55    61   0.33950  1.0 3.0
   75    55    57    58   0.23400  1.0 3.0
   75    55    57    59   0.23400  1.0 3.0
   75    55    57    60   0.23400  1.0 3.0
   75    55    61    62   0.23400  1.0 3.0
   75    55    61    63   0.23400  1.0 3.0
   75    55    61    64   0.23400  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50   -52    56  -0.03700  1.0 1.0
   55    50   -52    56   0.37200 -1.0 2.0
   55    50   -52    56  -0.47300  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    64   0.15000  1.0 3.0
   61    55    57    58   0.15000  1.0 3.0
   61    55    57    59   0.15000  1.0 3.0
   61    55    57    60   0.15000  1.0 3.0
   71    68    69    70   3.62500 -1.0 2.0
   71    68    69    72   3.62500 -1.0 2.0
   71    73    76    77   1.63100 -1.0 2.0
   71    73    76    78  -0.56150  1.0 1.0
   71    73    76    78   2.19150 -1.0 2.0
   73    76   -78    67   7.00000 -1.0 2.0
   73    76    78    79   7.00000 -1.0 2.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    78   1.00000 -1.0 2.0
   77    76    78    67   7.00000 -1.0 2.0
   77    76    78    79   7.00000 -1.0 2.0
   78    67    68    69   3.62500 -1.0 2.0
   78    67   -68    71   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   65    72    56    52   4.00000 -1.0 2.0
   67    66    65    56   1.10000 -1.0 2.0
   68    78    67    65   4.00000 -1.0 2.0
   69    71    68    67   4.00000 -1.0 2.0
   72    70    69    68   1.10000 -1.0 2.0
   69    75    72    56   4.00000 -1.0 2.0
   71    76    73    74  10.50000 -1.0 2.0
   73    77    76    78   1.10000 -1.0 2.0
   67    79    78    76   1.10000 -1.0 2.0
END
