* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    134    207     385
    1     0 S   NP   _N1_     1    28.98332    96.51286   -20.96840
    2     1 S   H    _HN1     2     1.02855    76.72811     3.34375
    3     1 S   H    _H1_     3     1.02963    45.30580   134.91683
    4     1 S   H    _H2_     4     1.02802    86.89503  -106.19090
    5     1 S   CT   _CA1     5     1.50514   154.18705   115.13040
    6     5 S   HC   _HA1     6     1.09680   104.63905    78.33697
    7     5 S   CO3  _C1_     7     1.54436   110.90090   -37.62291
    8     7 S   O2Z  _O11     8     1.26092   116.85205  -119.55370
    9     7 S   O2Z  _O12     9     1.26554   113.73706    59.36923
   10     5 S   CT   _CB1    10     1.53030   107.03187  -165.48062
   11    10 S   HC   HB11    11     1.09838   110.11258   -41.62340
   12    10 S   HC   HB12    12     1.09785   110.04216    74.99886
   13    10 S   CT   _CG1    13     1.53072   112.37249  -162.20611
   14    13 S   HC   HG11    14     1.09501   110.95062   -54.27872
   15    13 S   HC   HG12    15     1.09650   109.88836    64.75029
   16    13 S   C    _CD1    16     1.51727   111.96345  -175.01831
   17    16 S   O    _OE1    17     1.22749   123.19266    -4.68697
   18    16 S   N    _N2_    18     1.38632   111.79387   175.27495
   19    18 S   H    _HN2    19     1.01573   119.18475     3.45389
   20    18 S   CT1  _CA2    20     1.46250   123.08737  -177.66787
   21    20 S   HC   _HA2    21     1.09730   109.30675    -3.56282
   22    20 S   C    _C2_    22     1.53387   108.82398  -119.30307
   23    22 S   O    _O2_    23     1.23030   122.31136  -149.11779
   24    20 S   CT   _CB2    32     1.53491   111.42337   117.99900
   25    24 S   HC   HB21    33     1.09373   109.61247    62.38114
   26    24 S   HC   HB22    34     1.09430   109.82856  -179.74666
   27    22 S   N    _N3_    24     1.38342   113.60915    38.30982
   28    27 S   H    _HN3    25     1.01617   119.49538    -3.50560
   29    24 S   S    _SG2    35     1.83267   111.10981   -60.41421
   30    27 S   CT   _CA3    26     1.45289   123.13774   176.99606
   31    30 S   HC   HA31    27     1.09552   107.48492   -64.71131
   32    30 S   HC   HA32    28     1.09557   107.99930    51.70801
   33    29 S   CT   _C9_    36     1.85288   101.60844   149.50994
   34    30 S   CO3  _C3_    29     1.52935   114.12411   173.68757
   35    34 S   O2Z  _O31    30     1.26368   116.04769    -1.94993
   36    34 S   O2Z  _O32    31     1.26428   114.41884   178.14080
   37    33 S   CT   _C8_    37     1.56389   109.44394   173.37522
   38    37 S   HC   _H8_    38     1.09352   114.20032    77.44766
   39    37 S   HC   _H9_    39     1.09836   110.57677   -43.45607
   40    33 S   SZ   _S1_    61     1.88919   109.00521   -65.15192
   41    40 S   OZ   _O36    62     1.49920   109.32561  -178.69869
   42    37 S   C4T  _C7_    40     1.52876   104.13457  -161.43263
   43    42 S   HC   _H3_    41     1.09529   114.29916   -90.20622
   44    40 S   CM   _C13    63     1.78889   100.99306   -65.67586
   45    44 S   HC   _H10    64     1.08548   121.83858    38.21767
   46    42 S   C4M  _C6_    42     1.50976   121.64741   123.37792
   47    42 S   N4   _N4_    45     1.46534   102.12542    31.30160
   48    44 S   CM   _C14    65     1.33964   118.59167  -143.66623
   49    48 S   HC   _H11    66     1.08564   122.04730     1.66236
   50    46 S   C4   _C11    43     1.46722    88.70788  -102.82645
   51    50 S   O    _O33    44     1.21372   134.99174   175.80665
   52    33 S   CT1  _C10    46     1.56482   115.95694    57.21102
   53    52 S   HC   _H4_    47     1.09713   111.11633  -100.44568
   54    46 S   CM   _C5_    51     1.34136   136.05628    76.88767
   55    48 S   N    _N5_    67     1.37324   122.36756  -178.38638
   56    55 S   H    _H12    68     1.02006   117.67907     2.77305
   57    52 S   CO3  _C12    48     1.54638   117.74229    24.83960
   58    57 S   O2Z  _O35    49     1.26298   116.20433    51.51062
   59    57 S   O2Z  _O34    50     1.26491   114.40214  -128.67786
   60    54 S   CT   _C4_    52     1.50572   123.29094   179.92338
   61    60 S   HC   _H5_    53     1.09472   110.46911   118.28311
   62    60 S   HC   _H6_    54     1.09341   112.61072    -1.95575
   63    60 S   HC   _H7_    55     1.09500   110.17860  -121.92283
   64    54 S   CT   _C17    56     1.50770   121.85846     0.68984
   65    64 S   HC   _H16    57     1.09483   111.94696     4.03303
   66    64 S   HC   _H17    58     1.09511   110.25450   124.41671
   67    55 S   C    _C15    69     1.38655   123.32684  -178.34578
   68    67 S   O    _O37    70     1.22940   125.78971    -0.94874
   69    64 S   OH   _O38    59     1.42082   109.46234  -115.83494
   70    69 S   HO   _H18    60     0.97214   107.02612   179.82641
   71    67 S   CT   _C16    71     1.50595   112.91576  -179.84174
   72    71 S   HC   _H13    72     1.09285   109.07358    92.75998
   73    71 S   HC   _H14    73     1.09338   111.46916   -28.18562
   74    71 S   HC   _H15    74     1.09370   109.25550  -147.75101
  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
  18   2   1   1  14   7   6  11   4  11   5   7   3  13   8   6
   3   7   2   4   3   9   7   3   2   1   1   7   3   2   1   4
   3   2   5   4   1   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    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    47    52    53    57    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    46    50    47    52    53    57    58    59    40    41    44    45    48  
   35    36  
   36  
    0  
   38    39    42    43    46    50    47    52    53    57    54    40    41    44  
   39    42    43    46    47    52    40  
   42    43    46    47    52    40  
   41    44    45    48    49    55    42    47    52    53    57  
   44    45    48    52  
   43    46    50    51    47    52    53    57    54    60    64  
   46    50    47    52    54  
   45    48    49    55    56    67    52  
   48    49    55  
   50    51    47    52    54    60    61    62    63    64    65    66    69  
   52    53    57    58    59    54    50    51  
   49    55    56    67    68    71  
   55    56    67  
   51    52    53    57    54    60    64  
   52    54  
   53    57    58    59  
   57    58    59  
   60    61    62    63    64    65    66    69    70  
   56    67    68    71    72    73    74  
   67    68    71  
   58    59  
   59  
    0  
   61    62    63    64    65    66    69  
   62    63    64  
   63    64  
   64  
   65    66    69    70  
   66    69    70  
   69    70  
   68    71    72    73    74  
   71    72    73    74  
   70  
    0  
   72    73    74  
   73    74  
   74  
    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   0.312500   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  -0.120000   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   3.5600   0.3950   0.307500   2.0080   1.7800   0.025682759  -1.666211680
   41   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   42   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   48   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   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    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    52   268.000  1.529
   33    40   340.000  1.853
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   260.000  1.519
   42    43   340.000  1.090
   42    46   275.000  1.517
   42    47   305.000  1.456
   46    50   410.000  1.444
   46    54   545.000  1.340
   50    51   930.000  1.212
   50    47   440.000  1.369
   47    52   337.000  1.449
   52    53   340.000  1.090
   52    57   317.000  1.522
   57    58   656.000  1.250
   57    59   656.000  1.250
   54    60   317.000  1.510
   54    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   553.000  0.945
   40    41   700.000  1.530
   40    44   205.000  1.810
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    49   340.000  1.080
   48    55   400.000  1.384
   55    56   434.000  1.010
   55    67   490.000  1.335
   67    68   570.000  1.229
   67    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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  111.63000
   29    33    52    75.00000  108.68000
   29    33    40    75.00000  118.00000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    70.00000  112.98000
   33    52    47    80.00000  109.70000
   33    52    53    37.50000  110.70000
   33    52    57    63.00000  111.10000
   33    40    41    74.00000  107.00000
   33    40    44   100.00000   93.60000
   37    42    43    45.00000  112.72800
   37    42    46    70.00000  112.02700
   37    42    47    80.00000  110.05700
   39    37    38    33.00000  107.80000
   42    37    38    45.00000  111.22300
   42    37    39    45.00000  111.22300
   42    46    50    85.00000   95.00000
   42    46    54    70.00000  124.00000
   42    47    50   100.00000   93.00000
   42    47    52    50.00000  132.70000
   46    42    43    40.00000  115.44000
   46    50    51    80.00000  125.30000
   46    50    47   100.00000   92.00000
   46    54    60    70.00000  124.00000
   46    54    64    70.00000  124.00000
   50    47    52    50.00000  132.10000
   47    42    43    50.00000  112.01000
   47    42    46    80.00000   90.00000
   47    50    51    75.00000  131.60000
   47    52    53    35.00000  109.50000
   47    52    57    63.00000  110.10000
   52    33    37    58.35000  112.70000
   52    57    58    70.00000  117.00000
   52    57    59    70.00000  117.00000
   57    52    53    35.00000  109.50000
   59    57    58    80.00000  126.00000
   54    46    50    70.00000  118.70000
   54    60    61    35.00000  109.50000
   54    60    62    35.00000  109.50000
   54    60    63    35.00000  109.50000
   54    64    65    35.00000  109.50000
   54    64    66    35.00000  109.50000
   54    64    69    90.00000  110.39200
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    54    60    65.00000  117.92700
   64    69    70    55.00000  108.50000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   40    33    37    75.00000  107.60000
   40    33    52    75.00000  107.60000
   40    44    45    40.00000  114.00000
   40    44    48    65.00000  118.19300
   44    40    41   100.00000  107.42000
   44    48    49    35.00000  120.00000
   44    48    55    75.00000  120.83300
   48    44    45    35.00000  120.00000
   48    55    56    45.00000  117.55000
   48    55    67    70.00000  120.89900
   55    48    49    45.00000  111.09300
   55    67    68    80.00000  122.90000
   55    67    71    70.00000  116.60000
   67    55    56    35.00000  119.80000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   71    67    68    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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   0.01700  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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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
   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   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    52    47   0.71400  1.0 1.0
   29    33    52    47   0.04300 -1.0 2.0
   29    33    52    47   0.01450  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    57  -2.17200  1.0 1.0
   29    33    52    57  -0.85700 -1.0 2.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.00000  1.0 1.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    46   0.34400  1.0 1.0
   33    37    42    46   0.09450 -1.0 2.0
   33    37    42    46   0.11100  1.0 3.0
   33    37   -42    47   0.43900  1.0 1.0
   33    37   -42    47   0.49100 -1.0 2.0
   33    37   -42    47   0.28400  1.0 3.0
   33    52    57    58   0.00000  1.0 1.0
   33    52    57    59   0.00000  1.0 1.0
   33    40    44    45   1.00000 -1.0 2.0
   33    40    44    48   1.00000 -1.0 2.0
   37    33   -52    47   0.42250  1.0 1.0
   37    33   -52    47  -0.48100 -1.0 2.0
   37    33   -52    47   0.35650  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    57  -0.84850  1.0 1.0
   37    33    52    57  -0.22800 -1.0 2.0
   37    33    52    57   0.29250  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    44   0.00000  1.0 1.0
   37    42    46    50   0.09700  1.0 1.0
   37    42    46    50   0.15600 -1.0 2.0
   37    42    46    50  -0.50800  1.0 3.0
   37    42    46    54   0.09850  1.0 1.0
   37    42    46    54   0.15250 -1.0 2.0
   37    42    46    54  -0.50650  1.0 3.0
   37    42   -47    50   0.00000  1.0 1.0
   37    42   -47    52   0.00000  1.0 1.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37    42    47   0.15000  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    46   0.15000  1.0 3.0
   39    37    42    47   0.15000  1.0 3.0
   42    46    50    51  -0.64400  1.0 1.0
   42    46    50    51   0.26850 -1.0 2.0
   42    46   -50    47   0.00000  1.0 1.0
   42    46    54    60   7.00000 -1.0 2.0
   42    46    54    64   7.00000 -1.0 2.0
   42    47   -52    33   0.00000  1.0 1.0
   42    47    52    53   0.00000  1.0 1.0
   42    47    52    57   0.00000  1.0 1.0
   43    42    46    50   0.15000  1.0 3.0
   43    42    46    54   0.00000  1.0 1.0
   43    42   -47    50   0.00000  1.0 1.0
   43    42    47    52   0.00000  1.0 1.0
   46    42   -47    50   0.00000  1.0 1.0
   46    42    47    52   0.00000  1.0 1.0
   46    50   -47    42   0.00000  1.0 1.0
   46    50   -47    52   3.00000 -1.0 2.0
   46    54    60    61   0.00000  1.0 1.0
   46    54    60    62   0.00000  1.0 1.0
   46    54    60    63   0.00000  1.0 1.0
   46    54    64    65   0.00000  1.0 1.0
   46    54    64    66   0.00000  1.0 1.0
   46    54    64    69   0.67800  1.0 1.0
   46    54    64    69   0.47050 -1.0 2.0
   46    54    64    69  -0.62500  1.0 3.0
   50    46    54    60   7.00000 -1.0 2.0
   50    46    54    64   7.00000 -1.0 2.0
   50    47    52    33   0.00000  1.0 1.0
   50    47    52    53   0.00000  1.0 1.0
   50    47    52    57   0.00000  1.0 1.0
   51    50   -47    42   3.00000 -1.0 2.0
   51    50    47    52   3.00000 -1.0 2.0
   47    42   -46    50   0.00000  1.0 1.0
   47    42    46    54   0.62150  1.0 1.0
   47    42    46    54   0.42850 -1.0 2.0
   47    42    46    54  -0.68200  1.0 3.0
   47    52    57    58   0.00000  1.0 1.0
   47    52    57    59   0.00000  1.0 1.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    42   0.31550 -1.0 2.0
   52    33   -37    42   0.11250  1.0 3.0
   52    33    40    41   0.00000  1.0 1.0
   52    33    40    44   0.00000  1.0 1.0
   53    52    57    58   0.00000  1.0 1.0
   53    52    57    59   0.00000  1.0 1.0
   54    46    50    51   1.00000 -1.0 2.0
   54    46   -50    47   0.49500  1.0 1.0
   54    46   -50    47   1.31600 -1.0 2.0
   54    46   -50    47  -0.02300  1.0 3.0
   54    64    69    70  -0.07800  1.0 1.0
   54    64    69    70  -0.21500 -1.0 2.0
   54    64    69    70  -0.03150  1.0 3.0
   60    54    64    65   0.34800  1.0 3.0
   60    54    64    66   0.34800  1.0 3.0
   60    54    64    69   0.18000  1.0 1.0
   60    54    64    69   0.16450 -1.0 2.0
   60    54    64    69   0.04450  1.0 3.0
   64    54    60    61   0.34800  1.0 3.0
   64    54    60    62   0.34800  1.0 3.0
   64    54    60    63   0.34800  1.0 3.0
   65    64    69    70   0.19450  1.0 3.0
   66    64    69    70   0.19450  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    52    47   0.56750  1.0 1.0
   40    33    52    47  -0.07550 -1.0 2.0
   40    33    52    47   0.20000  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    57   0.56750  1.0 1.0
   40    33    52    57  -0.07550 -1.0 2.0
   40    33    52    57   0.20000  1.0 3.0
   40    44    48    49   7.00000 -1.0 2.0
   40    44    48    55   7.00000 -1.0 2.0
   41    40    44    45   1.00000 -1.0 2.0
   41    40    44    48   1.00000 -1.0 2.0
   44    48    55    56   0.78350 -1.0 2.0
   44    48    55    67  -0.18900  1.0 1.0
   44    48    55    67   1.70900 -1.0 2.0
   45    44    48    49   7.00000 -1.0 2.0
   45    44    48    55   7.00000 -1.0 2.0
   48    55    67    68   2.67200 -1.0 2.0
   48    55    67    71   0.67100  1.0 1.0
   48    55    67    71   1.42150 -1.0 2.0
   48    55    67    71   0.18700  1.0 3.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    67   1.44600  1.0 1.0
   55    67    71    72   0.00000  1.0 1.0
   55    67    71    73   0.00000  1.0 1.0
   55    67    71    74   0.00000  1.0 1.0
   56    55    67    68   2.45000 -1.0 2.0
   56    55    67    71   2.45000 -1.0 2.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    73   0.00000  1.0 1.0
   68    67    71    74   0.00000  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   42    50    46    54   1.10000 -1.0 2.0
   46    47    50    51  10.50000 -1.0 2.0
   52    50    47    42   1.00000 -1.0 2.0
   58    52    57    59  10.50000 -1.0 2.0
   60    64    54    46   1.10000 -1.0 2.0
   40    45    44    48  15.00000 -1.0 2.0
   55    49    48    44  15.00000 -1.0 2.0
   56    67    55    48   1.00000 -1.0 2.0
   55    71    67    68  10.50000 -1.0 2.0
END
