* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    136    220     408
    1     0 S   NP   _N1_     1    28.66039    96.56728   -22.40383
    2     1 S   H    _HN1     2     1.02785    97.76470   -89.69515
    3     1 S   H    _H1_     3     1.02950    72.86907    17.20305
    4     1 S   H    _H2_     4     1.02828    41.28640   161.96820
    5     1 S   CT   _CA1     5     1.50110   145.91321   118.46632
    6     5 S   HC   _HA1     6     1.09573   105.20376    88.30970
    7     5 S   CO3  _C1_     7     1.53793   112.45449   -31.93685
    8     7 S   O2Z  _O11     8     1.26372   115.00897   -42.70099
    9     7 S   O2Z  _O12     9     1.26241   114.94806   136.44838
   10     5 S   CT   _CB1    10     1.53080   107.41885  -153.70165
   11    10 S   HC   HB11    11     1.09832   109.38751   -49.73575
   12    10 S   HC   HB12    12     1.09814   110.43975    66.87454
   13    10 S   CT   _CG1    13     1.52985   112.59993  -170.71814
   14    13 S   HC   HG11    14     1.09583   110.61471   -65.23663
   15    13 S   HC   HG12    15     1.09669   109.80560    53.99448
   16    13 S   C    _CD1    16     1.51796   112.24713   174.45115
   17    16 S   O    _OE1    17     1.22728   123.30210     6.03540
   18    16 S   N    _N2_    18     1.38656   111.65510  -174.07242
   19    18 S   H    _HN2    19     1.01581   118.94258     1.78739
   20    18 S   CT1  _CA2    20     1.46189   123.37456   177.76927
   21    20 S   HC   _HA2    21     1.09741   109.37411     1.98781
   22    20 S   C    _C2_    22     1.53555   108.61827  -113.47165
   23    22 S   O    _O2_    23     1.23060   122.26320  -148.12396
   24    20 S   CT   _CB2    32     1.53509   111.64334   123.99153
   25    24 S   HC   HB21    33     1.09500   109.52383    56.00602
   26    24 S   HC   HB22    34     1.09279   109.60900   174.82649
   27    22 S   N    _N3_    24     1.38320   113.70968    39.32895
   28    27 S   H    _HN3    25     1.01589   119.58920    -3.34457
   29    24 S   S    _SG2    35     1.83007   111.09132   -64.50006
   30    27 S   CT   _CA3    26     1.45289   123.20813   177.11989
   31    30 S   HC   HA31    27     1.09550   107.51163   -64.53363
   32    30 S   HC   HA32    28     1.09557   107.98150    51.90300
   33    29 S   CT   _C16    36     1.88647   102.55351  -172.49983
   34    30 S   CO3  _C3_    29     1.52960   114.08372   173.90172
   35    34 S   O2Z  _O31    30     1.26375   116.06782    -0.57912
   36    34 S   O2Z  _O32    31     1.26428   114.41336   179.48074
   37    33 S   CT   _C12    37     1.53963   108.81959    72.52868
   38    37 S   HC   _H27    38     1.09629   110.28454   -53.31814
   39    37 S   HC   _H28    39     1.09346   111.07945  -168.93559
   40    33 S   CT   _C14    51     1.54911   106.71988  -167.19696
   41    40 S   HC   _H31    52     1.10248   105.77170    43.65079
   42    37 S   CA   _C8_    40     1.50681   114.02297    70.18028
   43    40 S   CO   _C17    53     1.55496   115.66506   159.99613
   44    42 S   CA   _C5_    41     1.40571   118.19102  -157.85671
   45    44 S   HA   _H25    42     1.08792   120.20141     1.02584
   46    43 S   OS   _O20    54     1.42897   110.92324   -44.60607
   47    43 S   CT   _C18    66     1.53194   116.36565    81.78182
   48    47 S   HC   _H33    67     1.09740   109.71275   179.97202
   49    47 S   HC   _H34    68     1.09504   111.76163    62.26341
   50    47 S   HC   _H35    69     1.08954   113.76001   -61.27382
   51    43 S   OH   _O22    70     1.43975   108.40328  -161.55335
   52    51 S   HO   _H39    71     0.97109   108.09847    42.07188
   53    44 S   CA   _C4_    43     1.39312   120.91445  -179.10300
   54    53 S   HA   _H24    44     1.08611   120.07955  -179.67135
   55    46 S   CT   _C15    55     1.42679   115.49838    55.20907
   56    55 S   HC   _H32    56     1.09381   110.11681    58.98418
   57    53 S   CA   _C6_    45     1.39003   119.80598     0.42197
   58    57 S   HA   _H26    46     1.08674   119.70933   180.00000
   59    33 S   CT   _C13    57     1.54254   109.07577   -49.13793
   60    59 S   HC   _H29    58     1.09658   110.75204    73.07442
   61    59 S   HC   _H30    59     1.09909   109.11872   -45.11575
   62    55 S   CT   _C19    60     1.53018   107.49449   177.70305
   63    62 S   HC   _H36    61     1.09712   109.82561   168.13482
   64    62 S   HC   _H37    62     1.09778   109.66776    49.79119
   65    57 S   CA   _C9_    47     1.39528   119.91090     0.23490
   66    62 S   CO3  _C11    63     1.53369   115.36949   -71.79996
   67    66 S   O2Z  _O17    64     1.26540   114.02996   165.48909
   68    66 S   O2Z  _O19    65     1.26133   116.72711   -15.41288
   69    42 S   CA   _C7_    48     1.40359   122.47629    24.22437
   70    65 S   OH   _O21    72     1.36955   115.61301   179.63309
   71    70 S   HO   _H38    73     0.97379   108.83333   179.79537
   72    69 S   CO4  _C10    49     1.49013   119.67296    -0.90027
   73    72 S   O    _O18    50     1.23001   119.77250  -179.27719
  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  13   5   4   3
  20   2   1   1  16   6   5  18   8  11  14   8   4  16   7   3
   2   1   3   1   6   3  10   7   6   3   7   2   1   5   4   3
   5   2   1   1   4   2   1   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    40    59    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    72    40    41    43    55    59    60    61  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    44    69    72    73    40    41    43    46    55    56    59    60    61    62    47    51  
   35    36  
   36  
    0  
   38    39    42    44    45    53    65    69    72    40    41    43    55    59    60    61  
   39    42    44    69    40    59  
   42    44    69    40    59  
   41    43    46    55    59    60    61    47    48    49    50    51    52    42    65    69    72    73  
   43    46    59    47    51    69    72    73  
   44    45    53    54    57    65    69    72    73    59    70  
   46    55    56    59    62    47    48    49    50    51    52    69    72    73  
   45    53    54    57    58    65    69    72  
   53    54    57    69  
   55    56    59    60    61    62    63    64    66    47    48    49    50    51    52    72  
   48    49    50    51    52    55    72  
   49    50    51  
   50    51  
   51  
   52    55    72  
    0  
   54    57    58    65    69    70  
   57    58    65  
   56    59    60    61    62    63    64    66    67    68  
   59    60    61    62    63    64    66  
   58    65    69    72    70    71  
   65    69    70  
   60    61    62    63    64    66    72  
   61    62  
   62  
   63    64    66    67    68  
   64    66    67    68  
   66    67    68  
   69    72    73    70    71  
   67    68  
   68  
    0  
   72    73    70    71  
   71    72  
    0  
   73  
    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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   268.000  1.529
   33    40   268.000  1.529
   33    59   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.510
   42    44   469.000  1.400
   42    69   469.000  1.400
   44    45   367.000  1.080
   44    53   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    65   469.000  1.400
   65    69   469.000  1.400
   65    70   450.000  1.364
   69    72   310.000  1.470
   72    73   570.000  1.229
   72    40   317.000  1.522
   40    41   340.000  1.090
   40    43   250.000  1.527
   43    46   320.000  1.380
   43    47   250.000  1.527
   43    51   380.000  1.407
   46    55   320.000  1.410
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   317.000  1.522
   66    67   656.000  1.250
   66    68   656.000  1.250
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   553.000  0.945
   70    71   553.000  0.945
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  111.63000
   29    33    40    75.00000  111.63000
   29    33    59    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    70.00000  112.17500
   33    40    72    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    75.00000  109.43000
   33    59    55    58.35000  112.70000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   37    42    44    70.00000  120.00000
   37    42    69    70.00000  120.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    44    45    35.00000  120.00000
   42    44    53    63.00000  120.00000
   42    69    65    63.00000  120.00000
   42    69    72    60.00000  119.52600
   44    53    54    35.00000  120.00000
   44    53    57    63.00000  120.00000
   53    44    45    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    65    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    65    69    63.00000  120.00000
   57    65    70    70.00000  120.00000
   65    57    58    35.00000  120.00000
   65    69    72    60.00000  119.52600
   65    70    71    35.00000  113.00000
   69    42    44    63.00000  120.00000
   69    72    73    75.00000  123.78400
   69    72    40    65.00000  115.47100
   72    40    41    35.00000  109.50000
   72    40    43    63.00000  111.10000
   40    33    37    58.35000  112.70000
   40    72    73    80.00000  120.40000
   40    43    46    90.00000  108.56700
   40    43    47    65.00000  112.71400
   40    43    51    90.00000  110.19100
   43    40    41    45.00000  108.72000
   43    46    55    60.00000  109.50000
   43    47    48    45.00000  108.72000
   43    47    49    45.00000  108.72000
   43    47    50    45.00000  108.72000
   43    51    52    70.00000  107.92000
   46    55    56    35.00000  109.50000
   46    55    59    50.00000  109.50000
   46    55    62    50.00000  109.50000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    66    70.00000  109.69300
   59    33    37    58.35000  112.70000
   59    33    40    58.35000  112.70000
   59    55    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    59    58.35000  112.70000
   62    66    67    70.00000  117.00000
   62    66    68    70.00000  117.00000
   64    62    63    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    35.00000  109.50000
   68    66    67    80.00000  126.00000
   47    43    46    90.00000  108.56700
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    46   110.00000  112.08000
   51    43    47    90.00000  110.19100
   70    65    69    70.00000  120.00000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    40    72   0.56750  1.0 1.0
   29    33    40    72  -0.07550 -1.0 2.0
   29    33    40    72   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    59    55   0.44750  1.0 1.0
   29    33    59    55  -0.17800 -1.0 2.0
   29    33    59    55   0.20200  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   33    37    42    44   0.04150 -1.0 2.0
   33    37    42    69   0.04150 -1.0 2.0
   33    40    43    46   0.62750  1.0 1.0
   33    40    43    46  -0.30950 -1.0 2.0
   33    40    43    46   0.27300  1.0 3.0
   33    40    43    47   0.56750  1.0 1.0
   33    40    43    47  -0.07550 -1.0 2.0
   33    40    43    47   0.20000  1.0 3.0
   33    40    43    51   0.86500  1.0 1.0
   33    40    43    51  -0.17500 -1.0 2.0
   33    40    43    51   0.20800  1.0 3.0
   37    33    40    72  -0.95700  1.0 1.0
   37    33    40    72  -0.18200 -1.0 2.0
   37    33    40    72   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    43   3.97050  1.0 1.0
   37    33    59    55   0.56750  1.0 1.0
   37    33    59    55  -0.07550 -1.0 2.0
   37    33    59    55   0.20000  1.0 3.0
   37    33    59    60   0.15000  1.0 3.0
   37    33    59    61   0.15000  1.0 3.0
   37    42    44    45   3.62500 -1.0 2.0
   37    42    44    53   3.62500 -1.0 2.0
   37    42    69    65   3.62500 -1.0 2.0
   37    42   -69    72   3.62500 -1.0 2.0
   38    37    42    44   0.00000  1.0 1.0
   38    37    42    69   0.00000  1.0 1.0
   39    37    42    44   0.00000  1.0 1.0
   39    37    42    69   0.00000  1.0 1.0
   42    44    53    54   3.62500 -1.0 2.0
   42    44    53    57   3.62500 -1.0 2.0
   42    69    72    73   1.05000 -1.0 2.0
   42    69    72    40   2.26350  1.0 1.0
   42    69    72    40   0.76750 -1.0 2.0
   42    69    72    40   0.22500  1.0 3.0
   44    42    69    65   3.62500 -1.0 2.0
   44    42    69    72   3.62500 -1.0 2.0
   44    53    57    58   3.62500 -1.0 2.0
   44    53   -57    65   3.62500 -1.0 2.0
   45    44    53    54   3.62500 -1.0 2.0
   45    44    53    57   3.62500 -1.0 2.0
   53    57    65    69   3.62500 -1.0 2.0
   53    57    65    70   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    65   3.62500 -1.0 2.0
   57    65   -69    42   3.62500 -1.0 2.0
   57    65    69    72   3.62500 -1.0 2.0
   57    65    70    71   0.84100 -1.0 2.0
   58    57    65    69   3.62500 -1.0 2.0
   58    57    65    70   3.62500 -1.0 2.0
   65    69    72    73   1.05000 -1.0 2.0
   65    69    72    40   2.26350  1.0 1.0
   65    69    72    40   0.76750 -1.0 2.0
   65    69    72    40   0.22500  1.0 3.0
   69    42    44    45   3.62500 -1.0 2.0
   69    42   -44    53   3.62500 -1.0 2.0
   69    65    70    71   0.84100 -1.0 2.0
   69    72   -40    33   0.05850 -1.0 2.0
   69    72   -40    33   0.17250  1.0 3.0
   69    72    40    41   0.00000  1.0 1.0
   69    72    40    43   0.05850 -1.0 2.0
   69    72    40    43   0.17250  1.0 3.0
   72    40    43    46  -0.09450  1.0 1.0
   72    40    43    46  -1.12950 -1.0 2.0
   72    40    43    46   0.54000  1.0 3.0
   72    40    43    47  -0.95700  1.0 1.0
   72    40    43    47  -0.18200 -1.0 2.0
   72    40    43    47   0.29450  1.0 3.0
   72    40    43    51  -0.09450  1.0 1.0
   72    40    43    51  -1.12950 -1.0 2.0
   72    40    43    51   0.54000  1.0 3.0
   73    72    40    33   0.30150 -1.0 2.0
   73    72    40    41   0.00000  1.0 1.0
   73    72    40    43   0.30150 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    42  -0.03700  1.0 1.0
   40    33   -37    42   0.37200 -1.0 2.0
   40    33   -37    42  -0.47300  1.0 3.0
   40    33    59    55   0.56750  1.0 1.0
   40    33    59    55  -0.07550 -1.0 2.0
   40    33    59    55   0.20000  1.0 3.0
   40    33    59    60   0.15000  1.0 3.0
   40    33    59    61   0.15000  1.0 3.0
   40    43   -46    55   0.06250  1.0 1.0
   40    43   -46    55  -0.01100 -1.0 2.0
   40    43   -46    55   0.28050  1.0 3.0
   40    43    47    48   0.15000  1.0 3.0
   40    43    47    49   0.15000  1.0 3.0
   40    43    47    50   0.15000  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   41    40    43    46   0.23400  1.0 3.0
   41    40    43    47   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   43    46    55    56   0.37050  1.0 3.0
   43    46    55    59   0.06250  1.0 1.0
   43    46    55    59  -0.01100 -1.0 2.0
   43    46    55    59   0.28050  1.0 3.0
   43    46    55    62   0.06250  1.0 1.0
   43    46    55    62  -0.01100 -1.0 2.0
   43    46    55    62   0.28050  1.0 3.0
   46    43    47    48   0.23400  1.0 3.0
   46    43    47    49   0.23400  1.0 3.0
   46    43    47    50   0.23400  1.0 3.0
   46    43    51    52  -0.50000  1.0 1.0
   46    43    51    52  -0.73950 -1.0 2.0
   46    43    51    52   0.17150  1.0 3.0
   46    55   -59    33   0.62750  1.0 1.0
   46    55   -59    33  -0.30950 -1.0 2.0
   46    55   -59    33   0.27300  1.0 3.0
   46    55    59    60   0.23400  1.0 3.0
   46    55    59    61   0.23400  1.0 3.0
   46    55    62    63   0.23400  1.0 3.0
   46    55    62    64   0.23400  1.0 3.0
   46    55    62    66  -3.35100  1.0 1.0
   46    55    62    66  -0.37050 -1.0 2.0
   46    55    62    66   0.22400  1.0 3.0
   55    62    66    67   0.41150 -1.0 2.0
   55    62    66    68   0.41150 -1.0 2.0
   56    55    59    33   0.15000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    66  -0.11250  1.0 3.0
   59    33    37    38   0.15000  1.0 3.0
   59    33    37    39   0.15000  1.0 3.0
   59    33    37    42  -0.03700  1.0 1.0
   59    33    37    42   0.37200 -1.0 2.0
   59    33    37    42  -0.47300  1.0 3.0
   59    33    40    72  -0.95700  1.0 1.0
   59    33    40    72  -0.18200 -1.0 2.0
   59    33    40    72   0.29450  1.0 3.0
   59    33    40    41   0.15000  1.0 3.0
   59    33   -40    43   3.97050  1.0 1.0
   59    55    62    63   0.15000  1.0 3.0
   59    55    62    64   0.15000  1.0 3.0
   59    55    62    66  -1.63150  1.0 1.0
   59    55    62    66  -0.43550 -1.0 2.0
   59    55    62    66   0.24500  1.0 3.0
   62    55    59    33   0.56750  1.0 1.0
   62    55    59    33  -0.07550 -1.0 2.0
   62    55    59    33   0.20000  1.0 3.0
   62    55    59    60   0.15000  1.0 3.0
   62    55    59    61   0.15000  1.0 3.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    68   0.00000  1.0 1.0
   64    62    66    67   0.00000  1.0 1.0
   64    62    66    68   0.00000  1.0 1.0
   47    43    46    55   0.06250  1.0 1.0
   47    43    46    55  -0.01100 -1.0 2.0
   47    43    46    55   0.28050  1.0 3.0
   47    43    51    52  -0.11600  1.0 1.0
   47    43    51    52  -0.09450 -1.0 2.0
   47    43    51    52   0.21250  1.0 3.0
   51    43    46    55  -0.81800  1.0 1.0
   51    43    47    48   0.23400  1.0 3.0
   51    43    47    49   0.23400  1.0 3.0
   51    43    47    50   0.23400  1.0 3.0
   70    65    69    42   3.62500 -1.0 2.0
   70    65    69    72   3.62500 -1.0 2.0
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
   44    69    42    37   4.00000 -1.0 2.0
   53    45    44    42   1.10000 -1.0 2.0
   57    54    53    44   1.10000 -1.0 2.0
   65    58    57    53   1.10000 -1.0 2.0
   69    70    65    57   4.00000 -1.0 2.0
   65    72    69    42   4.00000 -1.0 2.0
   69    40    72    73  10.50000 -1.0 2.0
   67    62    66    68  10.50000 -1.0 2.0
END
