* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    220     407
    1     0 S   NP   _N1_     1    28.82793    96.00228   -23.61080
    2     1 S   H    _HN1     2     1.02829    37.75414   172.49755
    3     1 S   H    _H1_     3     1.02786   102.29550   -84.08992
    4     1 S   H    _H2_     4     1.02951    73.87340    21.72597
    5     1 S   CT   _CA1     5     1.50105   140.79599   124.42648
    6     5 S   HC   _HA1     6     1.09573   105.21038    88.38629
    7     5 S   CO3  _C1_     7     1.53801   112.45110   -31.87310
    8     7 S   O2Z  _O11     8     1.26373   115.01146   -42.92895
    9     7 S   O2Z  _O12     9     1.26242   114.94814   136.23948
   10     5 S   CT   _CB1    10     1.53084   107.42755  -153.62142
   11    10 S   HC   HB11    11     1.09831   109.40927   -49.76577
   12    10 S   HC   HB12    12     1.09814   110.43529    66.85541
   13    10 S   CT   _CG1    13     1.52978   112.57570  -170.74925
   14    13 S   HC   HG11    14     1.09587   110.59893   -64.79961
   15    13 S   HC   HG12    15     1.09670   109.81808    54.42099
   16    13 S   C    _CD1    16     1.51793   112.28695   174.88994
   17    16 S   O    _OE1    17     1.22722   123.30841     5.16251
   18    16 S   N    _N2_    18     1.38631   111.60659  -174.95100
   19    18 S   H    _HN2    19     1.01578   118.96416     1.91612
   20    18 S   CT1  _CA2    20     1.46256   123.47172   178.11228
   21    20 S   HC   _HA2    21     1.09737   109.37827     1.54231
   22    20 S   C    _C2_    22     1.53552   108.53583  -113.88462
   23    22 S   O    _O2_    23     1.23036   122.36484  -148.33796
   24    20 S   CT   _CB2    32     1.53448   111.40889   123.54698
   25    24 S   HC   HB21    33     1.09450   109.49803    56.03449
   26    24 S   HC   HB22    34     1.09444   109.88485   174.97999
   27    22 S   N    _N3_    24     1.38368   113.66417    39.18505
   28    27 S   H    _HN3    25     1.01584   119.55821    -3.40220
   29    24 S   S    _SG2    35     1.83394   110.90072   -65.37008
   30    27 S   CT   _CA3    26     1.45281   123.19595   177.10187
   31    30 S   HC   HA31    27     1.09549   107.51511   -64.46379
   32    30 S   HC   HA32    28     1.09557   107.97994    51.97241
   33    29 S   CT   _C21    36     1.86739   101.88037   171.25336
   34    30 S   CO3  _C3_    29     1.52956   114.08526   173.96282
   35    34 S   O2Z  _O31    30     1.26374   116.06768    -0.73302
   36    34 S   O2Z  _O32    31     1.26428   114.41333   179.32973
   37    33 S   CM   _C17    37     1.50262   107.79663   -66.08282
   38    37 S   HC   _H15    38     1.08791   118.39069   -59.74510
   39    33 S   CT   _C15    47     1.55769   105.89449   176.28527
   40    39 S   HC   _H12    48     1.10011   109.58812   -56.16297
   41    39 S   HC   _H13    49     1.10179   108.29732    58.29949
   42    37 S   CM   _C16    39     1.33494   123.25867   121.07683
   43    42 S   HC   _H14    40     1.08396   121.25902   179.48871
   44    39 S   CT1  _C13    50     1.54135   115.20009  -179.87489
   45    44 S   HC   _H11    51     1.09552   111.07304   -45.35068
   46    42 S   CO4  _C20    41     1.48250   121.39085    -0.88004
   47    46 S   O    _O8_    42     1.23130   117.92766  -179.89721
   48    44 S   NIP  _N5_    52     1.49729   107.04424  -161.67378
   49    48 S   H    _H10    53     1.02572   115.71613   -73.94794
   50    44 S   CO3  _C14    75     1.53847   116.56081    81.78097
   51    50 S   O2Z  _O5_    76     1.26387   114.56447  -144.04891
   52    50 S   O2Z  _O6_    77     1.26322   115.78256    38.09586
   53    46 S   CMA  _C19    43     1.51963   119.27206    -0.13988
   54    53 S   OM   _O7_    44     1.26225   115.32893  -179.12867
   55    48 S   CG   _C9_    54     1.28461   125.71078   105.93871
   56    55 S   HC   _H6_    55     1.09837   118.10490     0.20558
   57    33 S   CM   _C18    45     1.50591   108.55095    56.46962
   58    57 S   HC   _H16    46     1.09208   115.34011    60.07523
   59    55 S   CM   _C8_    56     1.47456   122.27142  -179.86730
   60    59 S   HC   _H5_    57     1.08753   116.29552    -4.45646
   61    59 S   CM   _C7_    58     1.34513   124.42466   176.73080
   62    61 S   CM   _C6_    59     1.46007   125.59318    -2.28824
   63    62 S   HC   _H4_    60     1.08363   118.50398   -15.19844
   64    62 S   CM   _C4_    61     1.34624   121.17631   164.66378
   65    64 S   NE   _N4_    62     1.38402   121.71622    -2.12587
   66    65 S   H    _H3_    63     1.01676   116.22966  -172.72721
   67    64 S   CO3  _C5_    72     1.55932   119.54176   179.20969
   68    67 S   O2Z  _O1_    73     1.26744   114.71553   178.27683
   69    67 S   O2Z  _O33    74     1.26489   116.55359    -1.95755
   70    65 S   CT1  _C12    64     1.45442   123.52412    -5.79647
   71    70 S   HC   _H9_    65     1.09753   108.56779   147.29748
   72    61 S   CT   _C11    66     1.52458   119.88821   178.57509
   73    72 S   HC   _H7_    67     1.09717   111.26120   -15.90315
   74    72 S   HC   _H8_    68     1.09946   107.27513    99.96797
   75    70 S   CO3  _C10    69     1.54056   107.95327   -97.81317
   76    75 S   O2Z  _O3_    70     1.26675   114.78145   -61.61365
   77    75 S   O2Z  _O4_    71     1.26359   116.41236   119.98787
  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  11   5   4   3
  16   2   1   1  12   5  14   6   5   6   3  10   6   5   3   9
   4   3   1   1   3   2   6   3   1   1   9   3  11  11   4   9
  12   5   3   1   1   7   6   5   2   1   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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    53    57    58    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    53    54    57    58    39    40    41    44    45    48    50  
   35    36  
   36  
    0  
   38    42    43    46    47    53    57    58    39    40    41    44  
   42    43    46    57    39  
   40    41    44    45    48    49    55    50    51    52    42    53    57    58  
   41    44    45    48    50    57  
   44    45    48    50    57  
   43    46    47    53    54    57  
   46    47    53  
   45    48    49    55    56    59    50    51    52    57  
   48    49    55    50    51    52  
   47    53    54    57    58  
   53    54    57  
   49    55    56    59    60    61    50    51    52  
   55    56    59    50  
   51    52    55  
   52  
    0  
   54    57    58  
   57    58  
   56    59    60    61    62    72  
   59    60    61  
   58  
    0  
   60    61    62    63    64    70    72    73    74  
   61    62    72  
   62    63    64    65    70    71    72    73    74    75    67  
   63    64    65    66    70    72    73    74    67    68    69  
   64    65    72    67  
   65    66    70    71    72    75    67    68    69  
   66    70    71    72    73    74    75    76    77    67    68    69  
   70    71    72    75    67  
   68    69    70  
   69  
    0  
   71    72    73    74    75    76    77  
   72    73    74    75    76    77  
   73    74    75    76    77  
   74    75  
   75  
   76    77  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.139000   2.2900   2.0360   0.003973653   1.685851020
   49   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   55   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.292300   2.0020   1.7750   0.023028004  -0.852763146
   65   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   66   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    53   270.000  1.476
   53    54   745.000  1.250
   53    57   465.000  1.376
   57    58   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   280.000  1.462
   44    50   317.000  1.522
   48    49   490.000  1.015
   48    55   635.000  1.286
   55    56   385.000  1.083
   55    59   400.000  1.403
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   380.000  1.444
   61    72   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   425.000  1.378
   64    67   230.000  1.545
   65    66   434.000  1.010
   65    70   382.000  1.448
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    75   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   75    76   656.000  1.250
   75    77   656.000  1.250
   67    68   656.000  1.250
   67    69   656.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    57    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    57    53    70.00000  124.00000
   33    57    58    35.00000  117.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    58.35000  112.70000
   37    42    43    35.00000  120.00000
   37    42    46    65.00000  118.96000
   42    37    38    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    53    65.00000  118.65900
   46    42    43    40.00000  117.72500
   46    53    54    85.00000  116.28000
   46    53    57    65.00000  114.61000
   53    46    47    80.00000  120.81000
   53    57    58    40.00000  120.50800
   57    33    37    70.00000  110.12100
   57    53    54    65.00000  137.10300
   39    33    37    70.00000  112.02700
   39    33    57    70.00000  112.02700
   39    44    45    37.50000  110.70000
   39    44    48    75.00000  111.57000
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    45.00000  117.21000
   44    48    55    70.00000  122.59000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    50.00000  106.46400
   48    55    56    45.00000  118.03900
   48    55    59    65.00000  126.03000
   55    48    49    45.00000  118.89500
   55    59    60    40.00000  116.17200
   55    59    61    65.00000  121.68800
   59    55    56    40.00000  123.36000
   59    61    62    70.00000  123.01800
   59    61    72    70.00000  124.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    64    70.00000  123.01800
   61    72    70    70.00000  112.02700
   61    72    73    35.00000  109.50000
   61    72    74    35.00000  109.50000
   62    64    65    70.00000  124.03900
   62    64    67    55.00000  124.75400
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  114.50000
   64    65    70    50.00000  121.00000
   64    67    68    85.00000  113.83300
   64    67    69    85.00000  113.83300
   65    70    71    35.00000  109.50000
   65    70    72    80.00000  111.61500
   65    70    75    63.00000  110.10000
   70    65    66    35.00000  112.50000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    75    76    70.00000  117.00000
   70    75    77    70.00000  117.00000
   72    61    62    70.00000  124.00000
   72    70    71    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    63.00000  111.10000
   77    75    76    80.00000  126.00000
   67    64    65    80.00000  114.48000
   69    67    68    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    75.00000  110.00000
   52    50    51    80.00000  126.00000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57  -0.62250  1.0 1.0
   24    29    33    57  -0.38450 -1.0 2.0
   24    29    33    57   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    53   0.42700  1.0 1.0
   29    33    57    53  -0.70350 -1.0 2.0
   29    33    57    53  -0.43150  1.0 3.0
   29    33    57    58   0.00000  1.0 1.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    48   0.56750  1.0 1.0
   33    39    44    48  -0.07550 -1.0 2.0
   33    39    44    48   0.20000  1.0 3.0
   33    39    44    50  -0.84850  1.0 1.0
   33    39    44    50  -0.22800 -1.0 2.0
   33    39    44    50   0.29250  1.0 3.0
   37    33    57    53  -0.28300  1.0 1.0
   37    33    57    53   0.26700 -1.0 2.0
   37    33    57    53  -0.63300  1.0 3.0
   37    33    57    58   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.34400  1.0 1.0
   37    33    39    44   0.09450 -1.0 2.0
   37    33    39    44   0.11100  1.0 3.0
   37    42    46    47   1.00000 -1.0 2.0
   37    42   -46    53  -1.18350  1.0 1.0
   37    42   -46    53   1.45950 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    53    54   1.50000 -1.0 2.0
   42    46    53    57  -1.18350  1.0 1.0
   42    46    53    57   1.45950 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.93700 -1.0 2.0
   46    53   -57    33   7.00000 -1.0 2.0
   46    53    57    58   7.00000 -1.0 2.0
   47    46    53    54  -0.11900  1.0 1.0
   47    46    53    54   0.76850 -1.0 2.0
   47    46    53    54   0.14100  1.0 3.0
   47    46    53    57   1.00000 -1.0 2.0
   54    53    57    33   7.00000 -1.0 2.0
   54    53    57    58   7.00000 -1.0 2.0
   57    33    37    38   0.00000  1.0 1.0
   57    33   -37    42  -0.28300  1.0 1.0
   57    33   -37    42   0.26700 -1.0 2.0
   57    33   -37    42  -0.63300  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    44   0.34400  1.0 1.0
   57    33    39    44   0.09450 -1.0 2.0
   57    33    39    44   0.11100  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    57    53   0.09850  1.0 1.0
   39    33    57    53   0.15250 -1.0 2.0
   39    33    57    53  -0.50650  1.0 3.0
   39    33    57    58   0.00000  1.0 1.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    55   0.00000  1.0 1.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.15000  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48    55    56   2.00000 -1.0 2.0
   44    48    55    59   2.00000 -1.0 2.0
   45    44    48    49   0.09500  1.0 3.0
   45    44    48    55  -0.22200  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.30150 -1.0 2.0
   48    44    50    52   0.30150 -1.0 2.0
   48    55    59    60   0.97550 -1.0 2.0
   48    55    59    61   1.09700  1.0 1.0
   48    55    59    61   0.56350 -1.0 2.0
   48    55    59    61   0.49350  1.0 3.0
   49    48    55    56   2.00000 -1.0 2.0
   49    48    55    59   2.00000 -1.0 2.0
   55    59    61    62   7.00000 -1.0 2.0
   55    59    61    72   7.00000 -1.0 2.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   1.36050 -1.0 2.0
   59    61    62    63  -0.18600  1.0 3.0
   59    61    62    64   0.28850  1.0 1.0
   59    61    62    64   2.61350 -1.0 2.0
   59    61    62    64   0.78400  1.0 3.0
   59    61    72    70   0.09850  1.0 1.0
   59    61    72    70   0.15250 -1.0 2.0
   59    61    72    70  -0.50650  1.0 3.0
   59    61    72    73   0.00000  1.0 1.0
   59    61    72    74   0.00000  1.0 1.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    72   7.00000 -1.0 2.0
   61    62    64    65   7.00000 -1.0 2.0
   61    62    64    67   7.00000 -1.0 2.0
   62    61    72    70   0.98200  1.0 1.0
   62    61    72    70  -0.11900 -1.0 2.0
   62    61    72    70   0.24250  1.0 3.0
   62    61    72    73   0.00000  1.0 1.0
   62    61    72    74   0.00000  1.0 1.0
   62    64    65    66   1.00000 -1.0 2.0
   62    64   -65    70  -0.54700  1.0 1.0
   62    64   -65    70   1.23000 -1.0 2.0
   62    64    67    68  -0.04000 -1.0 2.0
   62    64    67    68  -0.29050  1.0 3.0
   62    64    67    69  -0.04000 -1.0 2.0
   62    64    67    69  -0.29050  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    67   7.00000 -1.0 2.0
   64    65    70    71   0.00000  1.0 1.0
   64    65    70    72   0.25450  1.0 1.0
   64    65    70    72  -0.61700 -1.0 2.0
   64    65    70    72  -0.23550  1.0 3.0
   64    65    70    75  -0.12500  1.0 1.0
   64    65    70    75  -0.12500 -1.0 2.0
   64    65    70    75   0.25000  1.0 3.0
   65    64    67    68   1.91650 -1.0 2.0
   65    64    67    69   1.91650 -1.0 2.0
   65    70   -72    61   0.21700  1.0 1.0
   65    70   -72    61   0.68550 -1.0 2.0
   65    70   -72    61  -0.27950  1.0 3.0
   65    70    72    73   0.22950  1.0 3.0
   65    70    72    74   0.22950  1.0 3.0
   65    70    75    76   0.00000  1.0 1.0
   65    70    75    77   0.00000  1.0 1.0
   66    65    70    71   0.00000  1.0 1.0
   66    65    70    72   0.00000  1.0 1.0
   66    65    70    75   0.00000  1.0 1.0
   71    70    72    61   0.15000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    75    76   0.00000  1.0 1.0
   71    70    75    77   0.00000  1.0 1.0
   72    61    62    63   0.00000  1.0 1.0
   72    61   -62    64  -0.18600  1.0 3.0
   72    70    75    76   0.00000  1.0 1.0
   72    70    75    77   0.00000  1.0 1.0
   75    70    72    61  -0.98800  1.0 1.0
   75    70    72    61   0.48800 -1.0 2.0
   75    70    72    61   0.76800  1.0 3.0
   75    70    72    73  -0.03800  1.0 3.0
   75    70    72    74  -0.03800  1.0 3.0
   67    64    65    66   1.82350 -1.0 2.0
   67    64    65    70   1.00000 -1.0 2.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    55   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    53    46    47  10.50000 -1.0 2.0
   46    54    53    57   1.10000 -1.0 2.0
   33    58    57    53   1.10000 -1.0 2.0
   44    49    48    55   1.00000 -1.0 2.0
   59    56    55    48  10.50000 -1.0 2.0
   55    60    59    61   1.10000 -1.0 2.0
   62    72    61    59   1.10000 -1.0 2.0
   61    63    62    64   1.10000 -1.0 2.0
   65    67    64    62   1.10000 -1.0 2.0
   70    64    65    66   1.00000 -1.0 2.0
   76    70    75    77  10.50000 -1.0 2.0
   68    64    67    69  10.50000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
END
