* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    131    209     384
    1     0 S   NP   _N1_     1    28.89069    95.92690   -20.15736
    2     1 S   H    _HN1     2     1.02787    80.07312   -73.22755
    3     1 S   H    _H1_     3     1.02960    90.17136    35.28141
    4     1 S   H    _H2_     4     1.02846    39.64629   152.48517
    5     1 S   CT   _CA1     5     1.50063   149.57594   169.46354
    6     5 S   HC   _HA1     6     1.09572   105.32523    47.82926
    7     5 S   CO3  _C1_     7     1.53778   112.25571   -72.55020
    8     7 S   O2Z  _O11     8     1.26342   115.08680   -49.44770
    9     7 S   O2Z  _O12     9     1.26221   114.88955   129.99993
   10     5 S   CT   _CB1    10     1.53084   107.46941   165.74528
   11    10 S   HC   HB11    11     1.09820   109.47011   -51.09953
   12    10 S   HC   HB12    12     1.09830   110.37889    65.44519
   13    10 S   CT   _CG1    13     1.53019   112.61955  -172.23183
   14    13 S   HC   HG11    14     1.09546   110.38795   -58.94073
   15    13 S   HC   HG12    15     1.09620   110.17554    60.21299
   16    13 S   C    _CD1    16     1.51766   112.02477  -179.54415
   17    16 S   O    _OE1    17     1.22733   123.14373   -12.07196
   18    16 S   N    _N2_    18     1.38565   111.76972   168.42675
   19    18 S   H    _HN2    19     1.01585   119.07927     1.29195
   20    18 S   CT1  _CA2    20     1.46243   123.33209  -177.55207
   21    20 S   HC   _HA2    21     1.09723   109.44774   -14.67973
   22    20 S   C    _C2_    22     1.53347   108.18176  -130.55514
   23    22 S   O    _O2_    23     1.23004   122.27666  -144.43010
   24    20 S   CT   _CB2    32     1.53442   111.21646   107.46585
   25    24 S   HC   HB21    33     1.09435   109.27645    56.28600
   26    24 S   HC   HB22    34     1.09512   110.58667   174.52496
   27    22 S   N    _N3_    24     1.38514   113.30284    42.78661
   28    27 S   H    _HN3    25     1.01530   118.93888    -0.31959
   29    24 S   S    _SG2    35     1.83130   111.59058   -66.20278
   30    27 S   CT   _CA3    26     1.45447   123.37427   175.15346
   31    30 S   HC   HA31    27     1.09528   109.15758    25.83951
   32    30 S   HC   HA32    28     1.09493   107.13817   142.83849
   33    29 S   CT   _C11    36     1.86484   101.04757   149.33496
   34    30 S   CO3  _C3_    29     1.52934   113.18008   -97.57737
   35    34 S   O2Z  _O31    30     1.26399   115.43779   -43.55009
   36    34 S   O2Z  _O32    31     1.26360   114.95839   137.38880
   37    33 S   CA   _C8_    37     1.54611   109.34277   -67.59436
   38    33 S   CT   _C12    54     1.53200   108.00932    59.17388
   39    38 S   HC   _H11    55     1.09370   114.64279   -84.78491
   40    38 S   HC   _H12    56     1.09685   113.30194    38.32602
   41    37 S   CA   _C7_    38     1.40581   122.98635   125.22188
   42    41 S   HA   _H8_    39     1.08579   121.62372     0.47147
   43    38 S   OS   _O35    57     1.43234   105.66582   154.66237
   44    41 S   CA   _C6_    40     1.39881   121.35925  -179.98022
   45    44 S   HA   _H7_    41     1.08620   118.84125   179.80119
   46    43 S   CO4  _C13    58     1.36557   109.59786   -25.24699
   47    46 S   O    _O36    59     1.22202   124.06255  -173.98393
   48    44 S   CA   _C5_    42     1.39085   119.62483    -0.25023
   49    33 S   CT   _C14    60     1.55798   114.97451   170.48155
   50    49 S   HC   _H3_    61     1.09896   110.68831   103.55787
   51    48 S   CA   _C10    43     1.39052   120.67870    -0.97398
   52    51 S   HA   _H10    44     1.08650   121.35522  -178.94371
   53    48 S   SY   _S1_    47     1.76673   120.17528  -179.22570
   54    53 S   OY   _O33    48     1.45054   107.98848     8.81202
   55    53 S   OY   _O34    49     1.44977   107.36068   140.18800
   56    49 S   CA   _C15    62     1.51700   118.64675   -21.67648
   57    37 S   CA   _C9_    45     1.41279   119.62788   -56.09030
   58    57 S   HA   _H9_    46     1.08858   120.44382    -0.23739
   59    53 S   CT   _C4_    50     1.77349   103.55084  -105.08572
   60    59 S   HC   _H4_    51     1.09213   108.07623  -179.77272
   61    59 S   HC   _H5_    52     1.09049   109.31362   -60.26549
   62    59 S   HC   _H6_    53     1.09176   108.98333    60.87631
   63    56 S   CA   _C16    63     1.40515   118.90663   100.98569
   64    63 S   HA   _H13    64     1.08774   120.33805     0.58717
   65    63 S   CA   _C17    65     1.39600   120.85955  -179.12665
   66    65 S   HA   _H14    66     1.08623   119.93990   179.97202
   67    65 S   CA   _C18    67     1.39219   120.04013     0.10279
   68    67 S   HA   _H15    68     1.08604   120.07660   179.96044
   69    67 S   CA   _C19    69     1.39267   119.84894     0.05234
   70    69 S   HA   _H16    70     1.08639   119.93228   179.89165
   71    56 S   CA   _C20    71     1.40339   122.72156   -77.82150
   72    71 S   HA   _H17    72     1.08658   121.00359    -0.89547
  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  17  10   4   3   9   4   5   9   3   6   3  11
   9   3   7   3   7   5   4   9   1   1   3   2   1   1   8   4
   6   3   5   3   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    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    57    38    39    40    43    46    49    50    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    44    51    57    58    38    39    40    43    46    47    49    50    56    63    71  
   35    36  
   36  
    0  
   41    42    44    45    48    51    52    57    58    38    39    40    43    46    49    50    56  
   39    40    43    46    47    49    50    56    41    57  
   40    43    46    49  
   43    46    49  
   42    44    45    48    51    57    58    53    49  
   44    45    48    57  
   46    47    49    50    56  
   45    48    51    52    57    53    54    55    59  
   48    51    53  
   47    49    50    56    63    71  
   49    50    56  
   51    52    57    58    53    54    55    59    60    61    62  
   50    56    63    64    65    69    71    72    57  
   56    63    71  
   52    57    58    53    54    55    59  
   57    58    53  
   54    55    59    60    61    62    57  
   55    59    60    61    62  
   59    60    61    62  
   63    64    65    66    67    69    70    71    72  
   58  
    0  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68    69    71    72  
   65    66    67    71  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    71    72  
   69    70    71  
   70    71    72  
   71    72  
   72  
    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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700   0.138000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.2500   0.862400   2.0025   1.7750   0.025682759  -1.666211680
   54   2.9600   0.1700  -0.530000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.9600   0.1700  -0.530000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.476500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    49   268.000  1.529
   37    41   469.000  1.400
   37    57   469.000  1.400
   41    42   367.000  1.080
   41    44   469.000  1.400
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    51   469.000  1.400
   48    53   225.000  1.779
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   367.000  1.080
   53    54   735.000  1.471
   53    55   735.000  1.471
   53    59   205.000  1.840
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   320.000  1.410
   43    46   214.000  1.327
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    56   317.000  1.510
   56    63   469.000  1.400
   56    71   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
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    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    37    41    70.00000  120.00000
   33    37    57    70.00000  120.00000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    50.00000  109.50000
   33    49    46    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    56    70.00000  112.17500
   37    41    42    35.00000  120.00000
   37    41    44    63.00000  120.00000
   37    57    51    63.00000  120.00000
   37    57    58    35.00000  120.00000
   41    44    45    35.00000  120.00000
   41    44    48    63.00000  120.00000
   44    41    42    35.00000  120.00000
   44    48    51    63.00000  120.00000
   44    48    53    65.00000  117.06700
   48    44    45    35.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    57    63.00000  120.00000
   48    53    54   100.00000  107.67100
   48    53    55   100.00000  107.67100
   48    53    59    80.00000  103.86900
   51    57    58    35.00000  120.00000
   57    37    41    63.00000  120.00000
   57    51    52    35.00000  120.00000
   53    48    51    65.00000  117.06700
   53    59    60    45.00000  108.39800
   53    59    61    45.00000  108.39800
   53    59    62    45.00000  108.39800
   55    53    54   115.00000  120.17200
   59    53    54   100.00000  108.55000
   59    53    55   100.00000  108.55000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   38    33    37    70.00000  112.17500
   38    43    46    83.00000  116.90000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    46    47    83.00000  123.40000
   43    46    49    81.00000  111.40000
   46    49    50    35.00000  109.50000
   46    49    56    70.00000  110.93000
   49    33    37    70.00000  112.17500
   49    33    38    58.35000  112.70000
   49    46    47    80.00000  120.40000
   49    56    63    70.00000  120.00000
   49    56    71    70.00000  120.00000
   56    49    50    35.00000  109.50000
   56    63    64    35.00000  120.00000
   56    63    65    63.00000  120.00000
   56    71    69    63.00000  120.00000
   56    71    72    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   71    56    63    63.00000  120.00000
   71    69    70    35.00000  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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    57  -0.16000  1.0 1.0
   29    33    37    57  -0.03200 -1.0 2.0
   29    33    37    57   0.04500  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    49    46   0.56750  1.0 1.0
   29    33    49    46  -0.07550 -1.0 2.0
   29    33    49    46   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    56   0.56750  1.0 1.0
   29    33    49    56  -0.07550 -1.0 2.0
   29    33    49    56   0.20000  1.0 3.0
   33    37    41    42   3.62500 -1.0 2.0
   33    37    41    44   3.62500 -1.0 2.0
   33    37    57    51   3.62500 -1.0 2.0
   33    37    57    58   3.62500 -1.0 2.0
   33    38   -43    46  -0.25900  1.0 1.0
   33    38   -43    46  -0.47000 -1.0 2.0
   33    38   -43    46   0.11750  1.0 3.0
   33    49    56    63   0.04150 -1.0 2.0
   33    49    56    71   0.04150 -1.0 2.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    40   0.43200  1.0 3.0
   37    33    38    43  -0.64350  1.0 1.0
   37    33    38    43  -0.04200 -1.0 2.0
   37    33    38    43   0.19800  1.0 3.0
   37    33    49    46   0.56750  1.0 1.0
   37    33    49    46  -0.07550 -1.0 2.0
   37    33    49    46   0.20000  1.0 3.0
   37    33    49    50   0.43200  1.0 3.0
   37    33    49    56  -0.94300  1.0 1.0
   37    33    49    56   1.32550 -1.0 2.0
   37    33    49    56  -0.07100  1.0 3.0
   37    41    44    45   3.62500 -1.0 2.0
   37    41    44    48   3.62500 -1.0 2.0
   41    37    57    51   3.62500 -1.0 2.0
   41    37    57    58   3.62500 -1.0 2.0
   41    44   -48    51   3.62500 -1.0 2.0
   41    44    48    53   3.62500 -1.0 2.0
   42    41    44    45   3.62500 -1.0 2.0
   42    41    44    48   3.62500 -1.0 2.0
   44    48    51    52   3.62500 -1.0 2.0
   44    48    51    57   3.62500 -1.0 2.0
   44    48    53    54   0.19500  1.0 1.0
   44    48    53    54   0.12000 -1.0 2.0
   44    48    53    55   0.19500  1.0 1.0
   44    48    53    55   0.12000 -1.0 2.0
   44    48    53    59   0.07000  1.0 1.0
   44    48    53    59  -0.56050 -1.0 2.0
   44    48    53    59   0.52800  1.0 3.0
   45    44    48    51   3.62500 -1.0 2.0
   45    44    48    53   3.62500 -1.0 2.0
   48    51   -57    37   3.62500 -1.0 2.0
   48    51    57    58   3.62500 -1.0 2.0
   48    53    59    60   0.00000  1.0 1.0
   48    53    59    61   0.00000  1.0 1.0
   48    53    59    62   0.00000  1.0 1.0
   51    48    53    54   0.19500  1.0 1.0
   51    48    53    54   0.12000 -1.0 2.0
   51    48    53    55   0.19500  1.0 1.0
   51    48    53    55   0.12000 -1.0 2.0
   51    48    53    59   0.07000  1.0 1.0
   51    48    53    59  -0.56050 -1.0 2.0
   51    48    53    59   0.52800  1.0 3.0
   52    51    57    37   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   57    37    41    42   3.62500 -1.0 2.0
   57    37   -41    44   3.62500 -1.0 2.0
   53    48    51    52   3.62500 -1.0 2.0
   53    48    51    57   3.62500 -1.0 2.0
   54    53    59    60   0.26000  1.0 3.0
   54    53    59    61   0.26000  1.0 3.0
   54    53    59    62   0.26000  1.0 3.0
   55    53    59    60   0.26000  1.0 3.0
   55    53    59    61   0.26000  1.0 3.0
   55    53    59    62   0.26000  1.0 3.0
   38    33    37    41   0.04150 -1.0 2.0
   38    33    37    57   0.04150 -1.0 2.0
   38    33   -49    46  -0.95700  1.0 1.0
   38    33   -49    46  -0.18200 -1.0 2.0
   38    33   -49    46   0.29450  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    56  -0.03700  1.0 1.0
   38    33    49    56   0.37200 -1.0 2.0
   38    33    49    56  -0.47300  1.0 3.0
   38    43    46    47   3.00000 -1.0 2.0
   38    43   -46    49   1.63150  1.0 1.0
   38    43   -46    49   2.92000 -1.0 2.0
   39    38    43    46   0.08050  1.0 3.0
   40    38    43    46   0.08050  1.0 3.0
   43    46   -49    33   0.36750  1.0 3.0
   43    46    49    50   0.00000  1.0 1.0
   43    46    49    56   0.40000  1.0 3.0
   46    49    56    63   0.04300 -1.0 2.0
   46    49    56    71   0.04300 -1.0 2.0
   47    46    49    33   0.30150 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    56   0.30150 -1.0 2.0
   49    33    37    41   0.04150 -1.0 2.0
   49    33    37    57   0.04150 -1.0 2.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    43   0.62750  1.0 1.0
   49    33   -38    43  -0.30950 -1.0 2.0
   49    33   -38    43   0.27300  1.0 3.0
   49    56    63    64   3.62500 -1.0 2.0
   49    56    63    65   3.62500 -1.0 2.0
   49    56    71    69   3.62500 -1.0 2.0
   49    56    71    72   3.62500 -1.0 2.0
   50    49    56    63   0.00000  1.0 1.0
   50    49    56    71   0.00000  1.0 1.0
   56    63    65    66   3.62500 -1.0 2.0
   56    63    65    67   3.62500 -1.0 2.0
   63    56    71    69   3.62500 -1.0 2.0
   63    56    71    72   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65   -67    69   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   65    67    69    71   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69   -71    56   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   70    69    71    56   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    56    63    64   3.62500 -1.0 2.0
   71    56   -63    65   3.62500 -1.0 2.0
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
   41    57    37    33   4.00000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   48    45    44    41   1.10000 -1.0 2.0
   51    53    48    44   4.00000 -1.0 2.0
   57    52    51    48   1.10000 -1.0 2.0
   51    58    57    37   1.10000 -1.0 2.0
   43    49    46    47  10.50000 -1.0 2.0
   63    71    56    49   4.00000 -1.0 2.0
   65    64    63    56   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   69    72    71    56   1.10000 -1.0 2.0
END
