* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    208     398
    1     0 S   NP   _N1_     1    29.02995    93.12440   -19.05913
    2     1 S   H    _HN1     2     1.03126   110.29651    48.37244
    3     1 S   H    _H1_     3     1.02832    26.87539   135.96873
    4     1 S   H    _H2_     4     1.02762    81.87359   -58.21448
    5     1 S   CT   _CA1     5     1.50231   129.12858  -170.42552
    6     5 S   HC   _HA1     6     1.09577   105.34783    35.76586
    7     5 S   CO3  _C1_     7     1.53797   112.04275   -84.19389
    8     7 S   O2Z  _O11     8     1.26329   115.01084   -46.57294
    9     7 S   O2Z  _O12     9     1.26243   114.88810   132.53342
   10     5 S   CT   _CB1    10     1.53022   107.24117   153.32272
   11    10 S   HC   HB11    11     1.09823   109.22142   -55.23555
   12    10 S   HC   HB12    12     1.09566   110.17954    60.82677
   13    10 S   CT   _CG1    13     1.52964   113.45356  -176.96494
   14    13 S   HC   HG11    14     1.09567   110.22095   -57.76737
   15    13 S   HC   HG12    15     1.09576   110.43485    61.58059
   16    13 S   C    _CD1    16     1.51892   111.52302  -178.28891
   17    16 S   O    _OE1    17     1.22782   122.90168   -22.05003
   18    16 S   N    _N2_    18     1.38558   112.00023   158.77866
   19    18 S   H    _HN2    19     1.01575   119.07287     1.61398
   20    18 S   CT1  _CA2    20     1.46367   123.48237  -175.85400
   21    20 S   HC   _HA2    21     1.09731   109.34935   -16.58750
   22    20 S   C    _C2_    22     1.53365   108.28847  -132.40191
   23    22 S   O    _O2_    23     1.23001   122.34756  -145.72406
   24    20 S   CT   _CB2    32     1.53607   111.09418   105.48161
   25    24 S   HC   HB21    33     1.09545   109.24166    54.37855
   26    24 S   HC   HB22    34     1.09479   110.86407   173.18828
   27    22 S   N    _N3_    24     1.38545   113.28346    41.70859
   28    27 S   H    _HN3    25     1.01534   118.89108    -0.61038
   29    24 S   S    _SG2    35     1.82870   111.24124   -67.16125
   30    27 S   CT   _CA3    26     1.45447   123.40697   175.02685
   31    30 S   HC   HA31    27     1.09526   109.17595    25.52014
   32    30 S   HC   HA32    28     1.09493   107.13587   142.51940
   33    29 S   CT   _C12    36     1.85306   100.52450   154.60328
   34    33 S   HC   _H3_    37     1.09798   104.70445   -26.93152
   35    30 S   CO3  _C3_    29     1.52932   113.16403   -97.91075
   36    35 S   O2Z  _O31    30     1.26399   115.42622   -43.80951
   37    35 S   O2Z  _O32    31     1.26358   114.96578   137.12953
   38    33 S   CM   _C13    38     1.49747   109.48059    83.15962
   39    38 S   HC   _H8_    39     1.08946   117.68118   -32.11326
   40    38 S   CMA  _C14    40     1.34556   124.26818   152.67637
   41    40 S   OM   _O36    41     1.26197   128.55179   176.50039
   42    40 S   CM   _C15    42     1.47725   118.08884    -3.45865
   43    42 S   CMA  _C16    43     1.36483   125.63595    -9.98473
   44    43 S   OM   _O34    44     1.27107   129.30841  -175.76705
   45    42 S   CO4  _C17    72     1.51080   120.20281   173.34931
   46    45 S   O    _O35    73     1.23064   121.43298    91.11812
   47    33 S   CT   _C11    45     1.59424   114.61411  -144.07098
   48    45 S   CT   _C18    74     1.50729   116.74976   -88.71998
   49    48 S   HC   _H9_    75     1.09307   109.21439   119.47001
   50    48 S   HC   _H10    76     1.09368   111.16285    -0.32984
   51    48 S   HC   _H11    77     1.09311   109.18054  -120.05347
   52    47 S   CA   _C9_    46     1.58620   112.02502   -29.03398
   53    47 S   CT   _C19    68     1.57736   102.70398    93.93115
   54    53 S   HC   _H12    69     1.09877   110.83405    68.06047
   55    53 S   HC   _H13    70     1.09642   112.01396   -49.90995
   56    53 S   HC   _H14    71     1.09629   112.94894  -172.17426
   57    52 S   CA   _C8_    47     1.41722   123.81764   103.66332
   58    57 S   CA   _C7_    48     1.41163   121.80004   179.49487
   59    57 S   OH   _O37    66     1.36962   119.54223    -3.70031
   60    59 S   HO   _H15    67     0.97392   110.77876   158.92792
   61    58 S   CA   _C6_    49     1.39742   120.16559    -2.28807
   62    58 S   CO4  _C20    60     1.48598   119.55906   173.99397
   63    62 S   O    _O38    61     1.22734   119.95198    52.66529
   64    61 S   CA   _C5_    50     1.39669   120.39864     5.33627
   65    61 S   OH   _O39    58     1.37066   121.76836  -174.47526
   66    65 S   HO   _H19    59     0.97141   109.27547    24.05678
   67    62 S   CT   _C21    62     1.50797   118.19889  -125.51822
   68    67 S   HC   _H16    63     1.09346   108.94555   131.91424
   69    67 S   HC   _H17    64     1.09331   111.52149    13.40206
   70    67 S   HC   _H18    65     1.09262   109.64101  -108.18743
   71    52 S   CA   _C10    51     1.42261   120.56451   -74.97986
   72    64 S   CT   _C4_    54     1.50742   120.69634   177.00298
   73    72 S   HC   _H4_    55     1.09452   109.92267   103.83748
   74    72 S   HC   _H5_    56     1.09529   110.63132  -135.21855
   75    72 S   HC   _H6_    57     1.09428   112.48032   -16.78061
   76    71 S   OH   _O33    52     1.37111   118.68531     3.45559
   77    76 S   HO   _H7_    53     0.97004   109.86280  -148.02570
  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   9   5   4   3
  16   7   2   1   1   9   4   8   3  11  12   4   6   4  11   3
   2   1   1  15   5   2   1   1  11  14   4   1  12   7   4   9
   3   1   3   2   1   1   6   4   2   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    47    52    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    52    57    71    53    54    55    56  
   38    39    40    43    47    52    53  
   36    37  
   37  
    0  
   39    40    41    42    43    47    52    53    45  
   40    41    42    47  
   41    42    43    44    47    45    46    48  
   42    43    45  
   43    44    47    52    53    45    46    48    49    50    51  
   44    47    52    57    71    53    54    55    56    45    46    48  
   47    52    53    45  
   46    48    49    50    51    47  
   48    49    50    51  
   52    57    58    64    71    76    59    53    54    55    56  
   49    50    51  
   50    51  
   51  
    0  
   57    58    61    64    71    76    77    72    62    59    60    53    54    55    56  
   54    55    56    57    71  
   55    56  
   56  
    0  
   58    61    64    71    76    65    62    63    67    59    60  
   61    64    71    72    65    66    62    63    67    68    69    70    59    60  
   60    61    62    71  
    0  
   64    71    76    72    73    74    75    65    66    62    63    67  
   63    67    68    69    70    64    65  
   67    68    69    70  
   71    76    77    72    73    74    75    65    66  
   66    71    72  
    0  
   68    69    70  
   69    70  
   70  
    0  
   76    77    72    73    74    75  
   73    74    75    76  
   74    75  
   75  
    0  
   77  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -1.202400   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   340.000  1.090
   33    38   317.000  1.510
   33    47   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   465.000  1.376
   42    45   320.000  1.462
   43    44   745.000  1.250
   43    47   270.000  1.512
   47    52   317.000  1.510
   47    53   268.000  1.529
   52    57   469.000  1.400
   52    71   469.000  1.400
   57    58   469.000  1.400
   57    59   450.000  1.364
   58    61   469.000  1.400
   58    62   310.000  1.470
   61    64   469.000  1.400
   61    65   450.000  1.364
   64    71   469.000  1.400
   64    72   317.000  1.510
   71    76   450.000  1.364
   76    77   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   65    66   553.000  0.945
   62    63   570.000  1.229
   62    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   59    60   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    43    70.00000  112.02700
   33    47    52    70.00000  112.17500
   33    47    53    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  117.34000
   40    42    45    60.00000  125.92000
   42    40    41    65.00000  137.10300
   42    43    44    65.00000  137.10300
   42    43    47    65.00000  122.18000
   42    45    46    80.00000  123.72100
   42    45    48    65.00000  118.62400
   43    47    52    70.00000  112.99600
   43    47    53    70.00000  112.02700
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    43    44    85.00000  112.85300
   47    52    57    70.00000  120.00000
   47    52    71    70.00000  120.00000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    56    37.50000  110.70000
   52    57    58    63.00000  120.00000
   52    57    59    70.00000  120.00000
   52    71    64    63.00000  120.00000
   52    71    76    70.00000  120.00000
   57    58    61    63.00000  120.00000
   57    58    62    60.00000  119.52600
   57    59    60    35.00000  113.00000
   58    61    64    63.00000  120.00000
   58    61    65    70.00000  120.00000
   58    62    63    75.00000  123.78400
   58    62    67    65.00000  115.47100
   61    64    71    63.00000  120.00000
   61    64    72    70.00000  120.00000
   61    65    66    35.00000  113.00000
   64    71    76    70.00000  120.00000
   64    72    73    35.00000  109.50000
   64    72    74    35.00000  109.50000
   64    72    75    35.00000  109.50000
   71    52    57    63.00000  120.00000
   71    76    77    35.00000  113.00000
   72    64    71    70.00000  120.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   65    61    64    70.00000  120.00000
   62    58    61    60.00000  119.52600
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   67    62    63    80.00000  120.40000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   59    57    58    70.00000  120.00000
   53    47    52    70.00000  112.17500
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   45    42    43    60.00000  125.92000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    51    35.00000  109.50000
   48    45    46    80.00000  120.40000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    43   0.56750  1.0 1.0
   29    33    47    43  -0.07550 -1.0 2.0
   29    33    47    43   0.20000  1.0 3.0
   29    33    47    52   0.56750  1.0 1.0
   29    33    47    52  -0.07550 -1.0 2.0
   29    33    47    52   0.20000  1.0 3.0
   29    33    47    53   0.44750  1.0 1.0
   29    33    47    53  -0.17800 -1.0 2.0
   29    33    47    53   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    47    52    57   0.04150 -1.0 2.0
   33    47    52    71   0.04150 -1.0 2.0
   33    47    53    54   0.15000  1.0 3.0
   33    47    53    55   0.15000  1.0 3.0
   33    47    53    56   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    43   0.15000  1.0 3.0
   34    33    47    52   0.43200  1.0 3.0
   34    33    47    53   0.15000  1.0 3.0
   38    33    47    43   0.31000  1.0 1.0
   38    33    47    43   0.14700 -1.0 2.0
   38    33    47    43   0.07550  1.0 3.0
   38    33    47    52   0.21200  1.0 1.0
   38    33    47    52   0.16900 -1.0 2.0
   38    33    47    52  -1.15100  1.0 3.0
   38    33    47    53   0.34400  1.0 1.0
   38    33    47    53   0.09450 -1.0 2.0
   38    33    47    53   0.11100  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    45   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   7.00000 -1.0 2.0
   40    42    43    47   7.00000 -1.0 2.0
   40    42    45    46   1.00000 -1.0 2.0
   40    42    45    48  -0.33500  1.0 1.0
   40    42    45    48   1.06600 -1.0 2.0
   40    42    45    48  -0.14000  1.0 3.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    45   7.00000 -1.0 2.0
   42    43   -47    33   0.09850  1.0 1.0
   42    43   -47    33   0.15250 -1.0 2.0
   42    43   -47    33  -0.50650  1.0 3.0
   42    43    47    52   1.44450  1.0 1.0
   42    43    47    52   0.06600 -1.0 2.0
   42    43    47    52   0.29250  1.0 3.0
   42    43    47    53   0.09850  1.0 1.0
   42    43    47    53   0.15250 -1.0 2.0
   42    43    47    53  -0.50650  1.0 3.0
   42    45    48    49   0.00000  1.0 1.0
   42    45    48    50   0.00000  1.0 1.0
   42    45    48    51   0.00000  1.0 1.0
   43    42    45    46   1.00000 -1.0 2.0
   43    42    45    48  -0.33500  1.0 1.0
   43    42    45    48   1.06600 -1.0 2.0
   43    42    45    48  -0.14000  1.0 3.0
   43    47    52    57   0.18050 -1.0 2.0
   43    47    52    71   0.18050 -1.0 2.0
   43    47    53    54   0.15000  1.0 3.0
   43    47    53    55   0.15000  1.0 3.0
   43    47    53    56   0.15000  1.0 3.0
   44    43    47    33   0.09700  1.0 1.0
   44    43    47    33   0.15600 -1.0 2.0
   44    43    47    33  -0.50800  1.0 3.0
   44    43    47    52   0.09700  1.0 1.0
   44    43    47    52   0.15600 -1.0 2.0
   44    43    47    52  -0.50800  1.0 3.0
   44    43    47    53   0.09700  1.0 1.0
   44    43    47    53   0.15600 -1.0 2.0
   44    43    47    53  -0.50800  1.0 3.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
   47    52    57    58   3.62500 -1.0 2.0
   47    52    57    59   3.62500 -1.0 2.0
   47    52    71    64   3.62500 -1.0 2.0
   47    52    71    76   3.62500 -1.0 2.0
   52    47    53    54   0.43200  1.0 3.0
   52    47    53    55   0.43200  1.0 3.0
   52    47    53    56   0.43200  1.0 3.0
   52    57    58    61   3.62500 -1.0 2.0
   52    57    58    62   3.62500 -1.0 2.0
   52    57    59    60   0.84100 -1.0 2.0
   52    71    76    77   0.84100 -1.0 2.0
   57    52    71    64   3.62500 -1.0 2.0
   57    52    71    76   3.62500 -1.0 2.0
   57    58   -61    64   3.62500 -1.0 2.0
   57    58    61    65   3.62500 -1.0 2.0
   57    58    62    63   1.05000 -1.0 2.0
   57    58    62    67   2.26350  1.0 1.0
   57    58    62    67   0.76750 -1.0 2.0
   57    58    62    67   0.22500  1.0 3.0
   58    57    59    60   0.84100 -1.0 2.0
   58    61    64    71   3.62500 -1.0 2.0
   58    61    64    72   3.62500 -1.0 2.0
   58    61    65    66   0.84100 -1.0 2.0
   58    62    67    68   0.00000  1.0 1.0
   58    62    67    69   0.00000  1.0 1.0
   58    62    67    70   0.00000  1.0 1.0
   61    58    62    63   1.05000 -1.0 2.0
   61    58    62    67   2.26350  1.0 1.0
   61    58    62    67   0.76750 -1.0 2.0
   61    58    62    67   0.22500  1.0 3.0
   61    64   -71    52   3.62500 -1.0 2.0
   61    64    71    76   3.62500 -1.0 2.0
   61    64    72    73   0.00000  1.0 1.0
   61    64    72    74   0.00000  1.0 1.0
   61    64    72    75   0.00000  1.0 1.0
   64    61    65    66   0.84100 -1.0 2.0
   64    71    76    77   0.84100 -1.0 2.0
   71    52   -57    58   3.62500 -1.0 2.0
   71    52    57    59   3.62500 -1.0 2.0
   71    64    72    73   0.00000  1.0 1.0
   71    64    72    74   0.00000  1.0 1.0
   71    64    72    75   0.00000  1.0 1.0
   72    64    71    52   3.62500 -1.0 2.0
   72    64    71    76   3.62500 -1.0 2.0
   65    61    64    71   3.62500 -1.0 2.0
   65    61    64    72   3.62500 -1.0 2.0
   62    58    61    64   3.62500 -1.0 2.0
   62    58    61    65   3.62500 -1.0 2.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    69   0.00000  1.0 1.0
   63    62    67    70   0.00000  1.0 1.0
   59    57    58    61   3.62500 -1.0 2.0
   59    57    58    62   3.62500 -1.0 2.0
   53    47    52    57   0.04150 -1.0 2.0
   53    47    52    71   0.04150 -1.0 2.0
   45    42    43    44   7.00000 -1.0 2.0
   45    42    43    47   7.00000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    51   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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    45    42    43   1.10000 -1.0 2.0
   47    44    43    42   1.10000 -1.0 2.0
   57    71    52    47   4.00000 -1.0 2.0
   58    59    57    52   4.00000 -1.0 2.0
   61    62    58    57   4.00000 -1.0 2.0
   64    65    61    58   4.00000 -1.0 2.0
   71    72    64    61   4.00000 -1.0 2.0
   64    76    71    52   4.00000 -1.0 2.0
   58    67    62    63  10.50000 -1.0 2.0
   42    48    45    46  10.50000 -1.0 2.0
END
