* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    137    200     387
    1     0 S   NP   _N1_     1    28.99517    93.84882   -23.00078
    2     1 S   H    _HN1     2     1.02832    24.42219   154.20703
    3     1 S   H    _H1_     3     1.02789    97.69784   -89.05530
    4     1 S   H    _H2_     4     1.02949    90.26163    19.43998
    5     1 S   CT   _CA1     5     1.50117   134.55518   139.13888
    6     5 S   HC   _HA1     6     1.09568   105.26765    66.13403
    7     5 S   CO3  _C1_     7     1.53897   112.07497   -54.17448
    8     7 S   O2Z  _O11     8     1.26385   115.08200   -49.84710
    9     7 S   O2Z  _O12     9     1.26217   114.97070   129.15377
   10     5 S   CT   _CB1    10     1.53093   107.38013  -175.91352
   11    10 S   HC   HB11    11     1.09822   109.72800   -48.55867
   12    10 S   HC   HB12    12     1.09814   110.33035    68.12310
   13    10 S   CT   _CG1    13     1.52934   112.44157  -169.48216
   14    13 S   HC   HG11    14     1.09506   110.40123   -57.91074
   15    13 S   HC   HG12    15     1.09637   110.05501    61.16597
   16    13 S   C    _CD1    16     1.51793   112.24354  -178.23209
   17    16 S   O    _OE1    17     1.22735   123.30985    -4.19031
   18    16 S   N    _N2_    18     1.38419   111.57296   175.59504
   19    18 S   H    _HN2    19     1.02042   119.10101     2.22387
   20    18 S   CT1  _CA2    20     1.46096   123.92050  -177.29528
   21    20 S   HC   _HA2    21     1.09731   109.30029    -4.15124
   22    20 S   C    _C2_    22     1.53375   109.05462  -119.94228
   23    22 S   O    _O2_    23     1.23079   122.22658  -150.47559
   24    20 S   CT   _CB2    32     1.53377   110.89006   117.54046
   25    24 S   HC   HB21    33     1.09487   109.92465    56.78046
   26    24 S   HC   HB22    34     1.09496   110.90392   175.57473
   27    22 S   N    _N3_    24     1.38375   113.66700    37.58690
   28    27 S   H    _HN3    25     1.01624   119.40034    -5.50556
   29    24 S   S    _SG2    35     1.82665   111.13664   -64.89573
   30    27 S   CT   _CA3    26     1.45267   123.06310   176.67280
   31    30 S   HC   HA31    27     1.09560   107.73037   -58.21389
   32    30 S   HC   HA32    28     1.09560   107.68728    58.11851
   33    29 S   CT   _C12    36     1.82233    99.29379   146.89543
   34    33 S   HC   _H10    37     1.09143   110.58208   -56.61317
   35    33 S   HC   _H11    38     1.09451   108.33339    59.79141
   36    30 S   CO3  _C3_    29     1.52921   114.28443   179.91844
   37    36 S   O2Z  _O31    30     1.26355   116.14378    -0.93503
   38    36 S   O2Z  _O32    31     1.26460   114.38842   179.04530
   39    33 S   CM   _C7_    39     1.49478   109.07933  -179.22595
   40    39 S   CM   _C8_    40     1.35379   125.17078   -95.18173
   41    40 S   C    _C9_    41     1.49973   106.01313   177.60110
   42    41 S   O    _O33    42     1.21777   125.60957  -179.35959
   43    40 S   CT   _C11    73     1.48089   132.39652     0.29871
   44    43 S   HC   _H7_    74     1.09472   110.38134   123.31370
   45    43 S   HC   _H8_    75     1.09320   112.36225     3.35993
   46    43 S   HC   _H9_    76     1.09445   110.27519  -117.06581
   47    41 S   N    _N5_    43     1.40027   105.07077     0.36369
   48    47 S   C    _C10    44     1.40043   141.36829  -178.36757
   49    48 S   O    _O34    45     1.21778   129.27197     0.38563
   50    48 S   CM   _C5_    46     1.49937   105.05857  -179.28399
   51    50 S   CM   _C6_    47     1.35407   106.02830     0.45413
   52    50 S   CT   _C4_    69     1.48126   121.61022   178.25258
   53    52 S   HC   _H4_    70     1.09472   110.38184   -52.53271
   54    52 S   HC   _H5_    71     1.09321   112.39351  -172.42330
   55    52 S   HC   _H6_    72     1.09442   110.26699    67.09274
   56    39 S   NE   _N4_    48     1.38079   124.19376    84.14528
   57    51 S   CT   _C13    49     1.49478   124.87271   177.89095
   58    57 S   HC   _H12    50     1.09094   111.85799   143.39646
   59    57 S   HC   _H13    51     1.09381   110.31700    25.04933
   60    57 S   S    _S1_    52     1.82213   109.35469   -94.16129
   61    60 S   CT   _C14    53     1.83177    99.54909   171.05277
   62    61 S   HC   _H14    54     1.09459   109.77046     1.00658
   63    61 S   HC   _H15    55     1.09532   106.60304  -114.39607
   64    61 S   CT1  _C15    56     1.53497   113.12624   124.77031
   65    64 S   HC   _H3_    57     1.09834   107.77584   174.67450
   66    64 S   CO3  _C16    58     1.54069   109.86661   -69.59371
   67    66 S   O2Z  _O36    59     1.26395   115.96504   115.57337
   68    66 S   O2Z  _O35    60     1.26486   114.80705   -64.80474
   69    64 S   N    _N6_    61     1.46294   112.49605    57.80769
   70    69 S   H    _H16    62     1.01624   116.76448  -103.00649
   71    69 S   C    _C17    63     1.38155   123.45132    76.41022
   72    71 S   O    _O37    64     1.22780   125.53883     0.00000
   73    71 S   CT   _C18    65     1.50444   112.40484  -179.04530
   74    73 S   HC   _H17    66     1.09342   109.43696    72.78707
   75    73 S   HC   _H18    67     1.09348   109.67089  -167.38124
   76    73 S   HC   _H19    68     1.09379   110.35532   -47.73583
  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   6   5   4   3
   9   4   3   2   1   1  13  10  11   4   5   2   1   1   7   9
   4  10  10   5   2   1   1   4   7   3   2   7  10   5   4   9
   6   5   2   1   7   3   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    56  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    47    51    56    43  
   35    39    40    56  
   39    40    56  
   37    38  
   38  
    0  
   40    41    42    47    48    50    51    56    57    43    44    45    46  
   41    42    47    48    51    56    43    44    45    46  
   42    47    48    49    50    51    56    43    44    45    46  
   47    48    56    43  
   44    45    46    47    56  
   45    46  
   46  
    0  
   48    49    50    51    56    57    52  
   49    50    51    56    57    52    53    54    55  
   50    51    56    52  
   51    56    57    58    59    60    52    53    54    55  
   56    57    58    59    60    61    52    53    54    55  
   53    54    55    56    57  
   54    55  
   55  
    0  
   57    58    59    60  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61    62    63    64    65    66    69  
   62    63    64    65    66    67    68    69    70    71  
   63    64    65    66    69  
   64    65    66    69  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70    71  
   67    68    69    70    71  
   68    69  
   69  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.2500   0.1700  -0.125000   1.8100   1.6000   0.054801302  -1.445846770
   48   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.036000   1.9050   1.6860   0.051222218  -2.220205820
   57   3.5000   0.0660   0.047500   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   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   61   3.5000   0.0660   0.047500   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   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   70   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   71   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    56   425.000  1.378
   40    41   410.000  1.444
   40    43   317.000  1.510
   41    42   570.000  1.229
   41    47   490.000  1.335
   47    48   490.000  1.335
   47    56   270.000  1.380
   48    49   570.000  1.229
   48    50   410.000  1.444
   50    51   549.000  1.340
   50    52   317.000  1.510
   51    56   425.000  1.378
   51    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   222.000  1.810
   60    61   222.000  1.810
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   317.000  1.522
   64    69   337.000  1.449
   66    67   656.000  1.250
   66    68   656.000  1.250
   69    70   434.000  1.010
   69    71   490.000  1.335
   71    72   570.000  1.229
   71    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    56    75.00000  116.24600
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    70.00000  118.70000
   39    40    43    70.00000  124.00000
   39    56    47   100.00000  118.68000
   39    56    51    75.00000  118.45600
   40    41    42    80.00000  125.30000
   40    41    47    80.00000  111.56200
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   41    47    48    70.00000  121.37400
   41    47    56    75.00000  118.91700
   47    41    42    80.00000  122.90000
   47    48    49    80.00000  122.90000
   47    48    50    80.00000  111.56200
   47    56    51   100.00000  118.68000
   48    50    51    70.00000  118.70000
   48    50    52    70.00000  119.70000
   50    48    49    80.00000  125.30000
   50    51    56    70.00000  124.03900
   50    51    57    70.00000  124.00000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    35.00000  109.50000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    75.00000  112.20000
   56    39    40    70.00000  124.03900
   56    47    48    75.00000  118.91700
   57    51    56    75.00000  116.24600
   57    60    61    62.00000   98.90000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    75.00000  108.68000
   61    64    65    37.50000  110.70000
   61    64    66    63.00000  111.10000
   61    64    69    80.00000  109.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    70.00000  117.00000
   64    66    68    70.00000  117.00000
   64    69    70    38.00000  118.40000
   64    69    71    50.00000  121.90000
   66    64    65    35.00000  109.50000
   68    66    67    80.00000  126.00000
   69    64    65    35.00000  109.50000
   69    64    66    63.00000  110.10000
   69    71    72    80.00000  122.90000
   69    71    73    70.00000  116.60000
   71    69    70    35.00000  119.80000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    35.00000  109.50000
   73    71    72    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   52    50    51    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   43    40    41    70.00000  119.70000
   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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    56   0.09700  1.0 1.0
   29    33    39    56   0.15600 -1.0 2.0
   29    33    39    56  -0.50800  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    43   7.00000 -1.0 2.0
   33    39    56    47   1.00000 -1.0 2.0
   33    39    56    51   1.00000 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    56  -0.18050  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    56  -0.18050  1.0 3.0
   39    40    41    42   1.00000 -1.0 2.0
   39    40   -41    47   0.49500  1.0 1.0
   39    40   -41    47   1.31600 -1.0 2.0
   39    40   -41    47  -0.02300  1.0 3.0
   39    40    43    44   0.00000  1.0 1.0
   39    40    43    45   0.00000  1.0 1.0
   39    40    43    46   0.00000  1.0 1.0
   40    39   -56    47  -0.94800  1.0 1.0
   40    39   -56    47   2.88400 -1.0 2.0
   40    39    56    51  -0.54500  1.0 1.0
   40    39    56    51   1.14150 -1.0 2.0
   40    41    47    48   2.45000 -1.0 2.0
   40    41   -47    56   2.45000 -1.0 2.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    46   0.15000  1.0 3.0
   41    47    48    49   2.22250 -1.0 2.0
   41    47    48    50   2.45000 -1.0 2.0
   41    47   -56    39   0.00000  1.0 1.0
   41    47    56    51   0.00000  1.0 1.0
   42    41    47    48   2.22250 -1.0 2.0
   42    41    47    56   2.45000 -1.0 2.0
   47    48   -50    51   0.49500  1.0 1.0
   47    48   -50    51   1.31600 -1.0 2.0
   47    48   -50    51  -0.02300  1.0 3.0
   47    48    50    52   1.59650  1.0 1.0
   47    48    50    52   0.42750 -1.0 2.0
   47    48    50    52  -0.48350  1.0 3.0
   48    47    56    39   0.00000  1.0 1.0
   48    47   -56    51   0.00000  1.0 1.0
   48    50   -51    56   7.00000 -1.0 2.0
   48    50    51    57   7.00000 -1.0 2.0
   48    50    52    53   0.15000  1.0 3.0
   48    50    52    54   0.15000  1.0 3.0
   48    50    52    55   0.15000  1.0 3.0
   49    48    50    51   1.00000 -1.0 2.0
   49    48    50    52  -0.64400  1.0 1.0
   49    48    50    52   0.26850 -1.0 2.0
   50    51    56    39  -0.54500  1.0 1.0
   50    51    56    39   1.14150 -1.0 2.0
   50    51   -56    47  -0.94800  1.0 1.0
   50    51   -56    47   2.88400 -1.0 2.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    59   0.00000  1.0 1.0
   50    51    57    60   0.42700  1.0 1.0
   50    51    57    60  -0.70350 -1.0 2.0
   50    51    57    60  -0.43150  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.00000  1.0 1.0
   51    57    60    61  -0.62250  1.0 1.0
   51    57    60    61  -0.38450 -1.0 2.0
   51    57    60    61   0.81900  1.0 3.0
   56    39   -40    41   7.00000 -1.0 2.0
   56    39    40    43   7.00000 -1.0 2.0
   56    47    48    49   2.45000 -1.0 2.0
   56    47   -48    50   2.45000 -1.0 2.0
   56    51    57    58  -0.18050  1.0 3.0
   56    51    57    59  -0.18050  1.0 3.0
   56    51    57    60   0.09700  1.0 1.0
   56    51    57    60   0.15600 -1.0 2.0
   56    51    57    60  -0.50800  1.0 3.0
   57    51    56    39   1.00000 -1.0 2.0
   57    51    56    47   1.00000 -1.0 2.0
   57    60    61    62   0.32350  1.0 3.0
   57    60    61    63   0.32350  1.0 3.0
   57    60    61    64   0.01700  1.0 1.0
   57    60    61    64  -0.23550 -1.0 2.0
   57    60    61    64   0.21350  1.0 3.0
   58    57    60    61   0.32350  1.0 3.0
   59    57    60    61   0.32350  1.0 3.0
   60    61    64    65   0.15000  1.0 3.0
   60    61    64    66  -2.17200  1.0 1.0
   60    61    64    66  -0.85700 -1.0 2.0
   60    61    64    69   0.71400  1.0 1.0
   60    61    64    69   0.04300 -1.0 2.0
   60    61    64    69   0.01450  1.0 3.0
   61    64    66    67   0.00000  1.0 1.0
   61    64    66    68   0.00000  1.0 1.0
   61    64    69    70   0.00000  1.0 1.0
   61    64    69    71   0.25950  1.0 1.0
   61    64    69    71   0.43850 -1.0 2.0
   61    64    69    71   2.61650  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66  -0.03800  1.0 3.0
   62    61    64    69   0.23200  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66  -0.03800  1.0 3.0
   63    61    64    69   0.23200  1.0 3.0
   64    69    71    72   3.04450 -1.0 2.0
   64    69    71    73   1.15000  1.0 1.0
   64    69    71    73   3.04450 -1.0 2.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    71   0.00000  1.0 1.0
   66    64    69    70   0.00000  1.0 1.0
   66    64    69    71  -0.29800  1.0 1.0
   66    64    69    71   0.13950 -1.0 2.0
   66    64    69    71  -2.45650  1.0 3.0
   69    64    66    67   0.00000  1.0 1.0
   69    64    66    68   0.00000  1.0 1.0
   69    71    73    74   0.00000  1.0 1.0
   69    71    73    75   0.00000  1.0 1.0
   69    71    73    76   0.00000  1.0 1.0
   70    69    71    72   2.45000 -1.0 2.0
   70    69    71    73   2.45000 -1.0 2.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    73    76   0.00000  1.0 1.0
   52    50    51    56   7.00000 -1.0 2.0
   52    50    51    57   7.00000 -1.0 2.0
   43    40    41    42  -0.64400  1.0 1.0
   43    40    41    42   0.26850 -1.0 2.0
   43    40    41    47   1.59650  1.0 1.0
   43    40    41    47   0.42750 -1.0 2.0
   43    40    41    47  -0.48350  1.0 3.0
IPHI
    8     5     7     9  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
   37    30    36    38  10.50000 -1.0 2.0
   33    56    39    40   1.10000 -1.0 2.0
   41    43    40    39   1.10000 -1.0 2.0
   40    47    41    42  10.50000 -1.0 2.0
   56    41    47    48   1.00000 -1.0 2.0
   47    50    48    49  10.50000 -1.0 2.0
   48    52    50    51   1.10000 -1.0 2.0
   57    56    51    50   1.10000 -1.0 2.0
   51    39    56    47   1.00000 -1.0 2.0
   67    64    66    68  10.50000 -1.0 2.0
   70    71    69    64   1.00000 -1.0 2.0
   69    73    71    72  10.50000 -1.0 2.0
END
