* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    126    187     366
    1     0 S   NP   _N1_     1    28.82578   100.41105   -24.10815
    2     1 S   H    _HN1     2     1.02868    60.71332   -22.75650
    3     1 S   H    _H1_     3     1.02936    46.72725   159.98726
    4     1 S   H    _H2_     4     1.02799   122.84577  -116.39253
    5     1 S   CT   _CA1     5     1.50504   124.44622    74.04341
    6     5 S   HC   _HA1     6     1.09675   104.56451   113.39487
    7     5 S   CO3  _C1_     7     1.54207   110.71639    -2.75051
    8     7 S   O2Z  _O11     8     1.26005   116.61297  -109.38632
    9     7 S   O2Z  _O12     9     1.26644   113.82825    69.42922
   10     5 S   CT   _CB1    10     1.53095   106.99667  -130.83032
   11    10 S   HC   HB11    11     1.09858   109.45451   -45.01573
   12    10 S   HC   HB12    12     1.09772   110.46153    71.45022
   13    10 S   CT   _CG1    13     1.53183   112.67775  -165.60688
   14    13 S   HC   HG11    14     1.09489   111.03447   -65.86877
   15    13 S   HC   HG12    15     1.09633   109.64680    53.49251
   16    13 S   C    _CD1    16     1.51895   111.73657   173.58247
   17    16 S   O    _OE1    17     1.22822   123.01722    11.41563
   18    16 S   N    _N2_    18     1.38632   112.23036  -168.58786
   19    18 S   H    _HN2    19     1.01539   119.23430     2.72333
   20    18 S   CT1  _CA2    20     1.45943   122.27138   175.44736
   21    20 S   HC   _HA2    21     1.09723   108.80529    29.07856
   22    20 S   C    _C2_    22     1.53008   106.55188   -87.98640
   23    22 S   O    _O2_    23     1.23014   122.92993   -30.24909
   24    20 S   CT   _CB2    32     1.53289   112.93279   152.61726
   25    24 S   HC   HB21    33     1.09348   109.67245    55.76793
   26    24 S   HC   HB22    34     1.09472   109.40694   174.04550
   27    22 S   N    _N3_    24     1.38479   112.70503   152.43135
   28    27 S   H    _HN3    25     1.01661   120.36226    -1.46447
   29    24 S   S    _SG2    35     1.83077   110.95710   -65.59141
   30    27 S   CT   _CA3    26     1.45358   122.39870   178.77363
   31    30 S   HC   HA31    27     1.09568   107.62971   -59.64772
   32    30 S   HC   HA32    28     1.09569   107.75245    56.63768
   33    29 S   CT   _C8_    36     1.87491   102.18872  -179.17552
   34    33 S   OM   _O36    37     1.31736   109.30881    58.03198
   35    30 S   CO3  _C3_    29     1.52878   114.44086   178.55085
   36    35 S   O2Z  _O31    30     1.26320   116.10425    -0.26095
   37    35 S   O2Z  _O32    31     1.26454   114.39076   179.75451
   38    33 S   CT   _C9_    38     1.54801   111.84180   -63.21933
   39    38 S   HC   _H11    39     1.09987   111.69431   175.96774
   40    38 S   HC   _H12    40     1.09911   111.50844    61.46569
   41    33 S   S    _S1_    59     1.87118   104.77903   174.72742
   42    38 S   CO4  _C10    41     1.52500   115.49361   -62.59239
   43    42 S   O    _O34    42     1.22981   121.83438   -84.67031
   44    41 S   CT   _C7_    60     1.83102   102.03742  -178.78373
   45    44 S   HC   _H9_    61     1.09405   108.97383    65.80612
   46    44 S   HC   _H10    62     1.09264   110.04943   -53.58790
   47    42 S   CM   _C11    43     1.49050   116.86091    95.58877
   48    47 S   HC   _H13    44     1.08270   117.33624    14.60712
   49    44 S   CT   _C6_    63     1.52830   110.44184  -174.45726
   50    49 S   HC   _H7_    64     1.09549   111.59366   -54.70677
   51    49 S   HC   _H8_    65     1.09590   109.15495  -173.60132
   52    47 S   CM   _C12    45     1.33980   119.95898  -162.11660
   53    52 S   HC   _H14    46     1.08770   120.21402    -0.62807
   54    49 S   N    _N4_    66     1.45326   112.32026    66.40562
   55    54 S   H    _H6_    67     1.01515   117.60263   -90.47730
   56    52 S   CA   _C13    47     1.47128   124.11062   176.49329
   57    54 S   C    _C5_    68     1.38289   122.81615    85.24384
   58    57 S   O    _O33    69     1.22793   125.47703     1.71349
   59    56 S   CA   _C14    48     1.40335   122.94644    30.85827
   60    59 S   HA   _H15    49     1.08714   121.08863     0.04423
   61    57 S   CT   _C4_    70     1.50453   112.45887  -177.18861
   62    61 S   HC   _H3_    71     1.09344   109.38233    74.59724
   63    61 S   HC   _H4_    72     1.09348   109.64592  -165.58013
   64    61 S   HC   _H5_    73     1.09377   110.44468   -45.93289
   65    59 S   CA   _C15    50     1.39705   120.61536   179.83449
   66    65 S   HA   _H16    51     1.08625   119.84448   179.30846
   67    65 S   CA   _C16    52     1.39033   119.66258    -0.31466
   68    67 S   CA   _C17    53     1.39127   120.65800    -1.04941
   69    68 S   HA   _H17    54     1.08628   121.00392  -179.38293
   70    67 S   OH   _O35    57     1.36604   118.36127   178.54451
   71    70 S   HO   _H19    58     0.97543   108.38111  -169.56268
   72    56 S   CA   _C18    55     1.40315   118.32462  -150.91936
   73    72 S   HA   _H18    56     1.08817   120.63949     0.95532
  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   8   5   4   3
  12   6   2   1   1   9   5   4   8   6   3   8   5   4   6   3
   7   4   3   8   3   7   3   9   5   4   8   4   3   2   1   1
   7   3   6   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    47    41    44    45    46    49  
   38    39    40    42    41    44  
   36    37  
   37  
    0  
   39    40    42    43    47    48    52    41    44  
   40    42    43    47    41  
   42    43    47    41  
   44    45    46    49    50    51    54    42  
   43    47    48    52    53    56  
   47    48    52  
   45    46    49    50    51    54    55    57  
   46    49    50    51    54  
   49    50    51    54  
   48    52    53    56    59    72  
   52    53    56  
   50    51    54    55    57    58    61  
   51    54    55    57  
   54    55    57  
   53    56    59    60    65    68    72    73  
   56    59    72  
   55    57    58    61    62    63    64  
   57    58    61  
   59    60    65    66    67    68    69    72    73  
   58    61    62    63    64  
   61    62    63    64  
   60    65    66    67    68    72    73    70  
   65    66    67    72  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    72    70    71  
   67    68    70  
   68    69    72    73    70    71  
   69    72    73    70    71  
   72    73    70  
   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  -0.175000   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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    41   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.522
   42    43   570.000  1.229
   42    47   320.000  1.462
   47    48   340.000  1.080
   47    52   549.000  1.340
   52    53   340.000  1.080
   52    56   320.000  1.460
   56    59   469.000  1.400
   56    72   469.000  1.400
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   469.000  1.400
   67    70   450.000  1.364
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   367.000  1.080
   70    71   553.000  0.945
   41    44   222.000  1.810
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   337.000  1.449
   54    55   434.000  1.010
   54    57   490.000  1.335
   57    58   570.000  1.229
   57    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    41    44    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    47    65.00000  118.62400
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    47    48    40.00000  117.72500
   42    47    52    65.00000  118.96000
   47    42    43    80.00000  123.72100
   47    52    53    35.00000  120.00000
   47    52    56    60.00000  123.20500
   52    47    48    35.00000  120.00000
   52    56    59    60.00000  120.93500
   52    56    72    60.00000  120.93500
   56    52    53    40.00000  117.26300
   56    59    60    35.00000  120.00000
   56    59    65    63.00000  120.00000
   56    72    68    63.00000  120.00000
   56    72    73    35.00000  120.00000
   59    65    66    35.00000  120.00000
   59    65    67    63.00000  120.00000
   65    59    60    35.00000  120.00000
   65    67    68    63.00000  120.00000
   65    67    70    70.00000  120.00000
   67    65    66    35.00000  120.00000
   67    68    69    35.00000  120.00000
   67    68    72    63.00000  120.00000
   67    70    71    35.00000  113.00000
   68    72    73    35.00000  120.00000
   72    56    59    63.00000  120.00000
   72    68    69    35.00000  120.00000
   70    67    68    70.00000  120.00000
   41    33    34    85.00000  114.68000
   41    33    38    75.00000  111.63000
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    49    75.00000  111.63000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    54    70.00000  110.72300
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    54    55    38.00000  118.40000
   49    54    57    50.00000  121.90000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    57    58    80.00000  122.90000
   54    57    61    70.00000  116.60000
   57    54    55    35.00000  119.80000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    64    35.00000  109.50000
   61    57    58    80.00000  120.40000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    41   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    44   0.08500  1.0 1.0
   29    33    41    44  -0.53150 -1.0 2.0
   29    33    41    44   0.48050  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    47   0.65300  1.0 1.0
   33    38    42    47  -0.03850 -1.0 2.0
   33    38    42    47   0.33900  1.0 3.0
   33    41    44    45   0.32350  1.0 3.0
   33    41    44    46   0.32350  1.0 3.0
   33    41    44    49   0.01700  1.0 1.0
   33    41    44    49  -0.23550 -1.0 2.0
   33    41    44    49   0.21350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    41    44   0.13850  1.0 1.0
   34    33    41    44  -1.34450 -1.0 2.0
   34    33    41    44   0.57400  1.0 3.0
   38    33    41    44   0.01700  1.0 1.0
   38    33    41    44  -0.23550 -1.0 2.0
   38    33    41    44   0.21350  1.0 3.0
   38    42    47    48   0.04550  1.0 1.0
   38    42    47    48   0.83000 -1.0 2.0
   38    42    47    48  -0.04000  1.0 3.0
   38    42    47    52  -0.33500  1.0 1.0
   38    42    47    52   1.06600 -1.0 2.0
   38    42    47    52  -0.14000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    47   0.00000  1.0 1.0
   42    47    52    53   7.00000 -1.0 2.0
   42    47    52    56   7.00000 -1.0 2.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    52   1.00000 -1.0 2.0
   47    52    56    59   0.15800  1.0 1.0
   47    52    56    59   1.85350 -1.0 2.0
   47    52    56    59  -0.48700  1.0 3.0
   47    52    56    72   0.15800  1.0 1.0
   47    52    56    72   1.85350 -1.0 2.0
   47    52    56    72  -0.48700  1.0 3.0
   48    47    52    53   7.00000 -1.0 2.0
   48    47    52    56   7.00000 -1.0 2.0
   52    56    59    60   3.62500 -1.0 2.0
   52    56    59    65   3.62500 -1.0 2.0
   52    56    72    68   3.62500 -1.0 2.0
   52    56    72    73   3.62500 -1.0 2.0
   53    52    56    59   0.56550  1.0 3.0
   53    52    56    72   0.56550  1.0 3.0
   56    59    65    66   3.62500 -1.0 2.0
   56    59    65    67   3.62500 -1.0 2.0
   59    56    72    68   3.62500 -1.0 2.0
   59    56    72    73   3.62500 -1.0 2.0
   59    65   -67    68   3.62500 -1.0 2.0
   59    65    67    70   3.62500 -1.0 2.0
   60    59    65    66   3.62500 -1.0 2.0
   60    59    65    67   3.62500 -1.0 2.0
   65    67    68    69   3.62500 -1.0 2.0
   65    67    68    72   3.62500 -1.0 2.0
   65    67    70    71   0.84100 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    70   3.62500 -1.0 2.0
   67    68   -72    56   3.62500 -1.0 2.0
   67    68    72    73   3.62500 -1.0 2.0
   68    67    70    71   0.84100 -1.0 2.0
   69    68    72    56   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   72    56    59    60   3.62500 -1.0 2.0
   72    56   -59    65   3.62500 -1.0 2.0
   70    67    68    69   3.62500 -1.0 2.0
   70    67    68    72   3.62500 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   41    44    49    50   0.15000  1.0 3.0
   41    44    49    51   0.15000  1.0 3.0
   41    44    49    54   0.56750  1.0 1.0
   41    44    49    54  -0.07550 -1.0 2.0
   41    44    49    54   0.20000  1.0 3.0
   44    49    54    55   0.00000  1.0 1.0
   44    49    54    57  -0.43950  1.0 1.0
   44    49    54    57  -0.08100 -1.0 2.0
   44    49    54    57   0.03350  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    54   0.15000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    54   0.15000  1.0 3.0
   49    54    57    58   3.04450 -1.0 2.0
   49    54    57    61   1.49850  1.0 1.0
   49    54    57    61   1.53950 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    57   0.00000  1.0 1.0
   51    49    54    55   0.00000  1.0 1.0
   51    49    54    57   0.00000  1.0 1.0
   54    57    61    62   0.00000  1.0 1.0
   54    57    61    63   0.00000  1.0 1.0
   54    57    61    64   0.00000  1.0 1.0
   55    54    57    58   2.45000 -1.0 2.0
   55    54    57    61   2.45000 -1.0 2.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    63   0.00000  1.0 1.0
   58    57    61    64   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
   36    30    35    37  10.50000 -1.0 2.0
   38    47    42    43  10.50000 -1.0 2.0
   42    48    47    52  15.00000 -1.0 2.0
   56    53    52    47  15.00000 -1.0 2.0
   59    72    56    52   4.00000 -1.0 2.0
   65    60    59    56   1.10000 -1.0 2.0
   67    66    65    59   1.10000 -1.0 2.0
   68    70    67    65   4.00000 -1.0 2.0
   72    69    68    67   1.10000 -1.0 2.0
   68    73    72    56   1.10000 -1.0 2.0
   55    57    54    49   1.00000 -1.0 2.0
   54    61    57    58  10.50000 -1.0 2.0
END
