* LIGAND DATABASE FILE (OPLS2005)
*
001      66    69    121    205     357
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C19    36     1.80543    98.16150   161.78140
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C17    37     1.52877   108.98058   159.95922
   38    37 S   O    _O20    38     1.21746   127.72515    62.49073
   39    33 S   NE   _N18    49     1.45870   111.24945    46.48377
   40    39 S   H    _H32    50     1.00876   125.22172   -56.14825
   41    33 S   CT1  _C18    51     1.52218   111.26281   -77.03258
   42    41 S   HC   _H30    52     1.09448   111.70001    58.34268
   43    37 S   CA   _C11    39     1.45719   108.05716  -117.73757
   44    41 S   CO4  _C16    53     1.52370   111.74420   -64.07995
   45    44 S   O    _O19    54     1.21655   127.22100    57.02840
   46    41 S   NE   _N17    65     1.45982   110.58443  -178.94594
   47    46 S   H    _H31    66     1.00851   124.64799   -71.59991
   48    43 S   CA   _C5_    40     1.37895   130.19100  -179.95577
   49    48 S   HA   _H25    41     1.08369   122.02665    -0.05595
   50    44 S   CA   _C10    55     1.45556   108.11042  -123.18447
   51    48 S   CA   _C7_    42     1.39432   116.91148   179.85598
   52    51 S   HA   _H27    43     1.08718   118.95533  -179.97202
   53    50 S   CA   _C4_    56     1.38052   130.25636  -178.67411
   54    53 S   HA   _H24    57     1.08343   122.00803     0.39167
   55    51 S   CA   _C15    44     1.40706   120.56535    -0.12667
   56    55 S   Br   BR23    45     1.89210   119.48717  -179.79923
   57    53 S   CA   _C6_    58     1.39416   116.86135  -179.38962
   58    57 S   HA   _H26    59     1.08716   118.91373   179.96044
   59    55 S   CA   _C9_    46     1.40044   120.93972     0.11535
   60    59 S   HA   _H29    47     1.08545   121.14724  -179.72094
   61    57 S   CA   _C14    60     1.40711   120.60499     0.27554
   62    61 S   Br   BR22    61     1.89194   119.50311   179.53270
   63    43 S   CA   _C13    48     1.39262   106.07690     0.17132
   64    61 S   CA   _C8_    62     1.40047   120.90834    -0.13706
   65    64 S   HA   _H28    63     1.08530   121.11961   179.27719
   66    50 S   CA   _C12    64     1.39232   106.01127     1.50246
  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  13   5  11   4  11   6   8   9   4   7   3   7
   4   8   6   3   7   4   4   3   6   3   2   1   4   3   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    63    39    40    41    42    44    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    48    59    63    39    40    41    42    44    45    50    66    46    47  
   35    36  
   36  
    0  
   38    43    48    49    51    59    63    39    40    41    42    44    46  
   43    48    63    39    41  
   40    41    42    44    46    43    48    55    59    60    63  
   41    43    59    63  
   42    44    45    50    53    64    66    46    47    43    63  
   44    45    50    66    46    47  
   48    49    51    52    55    59    60    63  
   45    50    53    54    57    64    66    46    47  
   50    53    66    46  
   47    50    53    61    64    65    66  
   50    64    66  
   49    51    52    55    56    59    63  
   51    52    55    63  
   53    54    57    58    61    64    65    66  
   52    55    56    59    60    63  
   55    56    59  
   54    57    58    61    62    64    66  
   57    58    61    66  
   56    59    60    63  
   59    60    63  
   58    61    62    64    65    66  
   61    62    64  
   60    63  
   63  
   62    64    65    66  
   64    65    66  
    0  
   65    66  
   66  
    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   0.367500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.3000   0.1700  -0.780000   2.1120   1.8750   0.051222218  -2.220205820
   40   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.3000   0.1700  -0.702500   2.1120   1.8750   0.051222218  -2.220205820
   47   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   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   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   63   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
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  1.522
   33    39   382.000  1.448
   33    41   268.000  1.529
   37    38   570.000  1.229
   37    43   310.000  1.470
   43    48   469.000  1.400
   43    63   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   300.000  1.903
   55    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    39   481.000  1.340
   39    40   434.000  1.010
   41    42   340.000  1.090
   41    44   255.000  1.522
   41    46   382.000  1.448
   44    45   570.000  1.229
   44    50   310.000  1.470
   50    53   469.000  1.400
   50    66   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    62   300.000  1.903
   61    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    46   481.000  1.340
   46    47   434.000  1.010
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  110.18000
   29    33    39    80.00000  108.62000
   29    33    41    75.00000  108.68000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.47100
   33    39    63    50.00000  120.00000
   33    39    40    35.00000  112.50000
   33    41    42    37.50000  110.70000
   33    41    44    70.00000  110.61500
   33    41    46    80.00000  111.61500
   37    43    48    60.00000  119.52600
   37    43    63    60.00000  119.52600
   43    37    38    75.00000  123.78400
   43    48    49    35.00000  120.00000
   43    48    51    63.00000  120.00000
   43    63    59    63.00000  120.00000
   43    63    39    70.00000  120.10000
   48    51    52    35.00000  120.00000
   48    51    55    63.00000  120.00000
   51    48    49    35.00000  120.00000
   51    55    56    75.00000  120.00000
   51    55    59    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    63    63.00000  120.00000
   59    55    56    75.00000  120.00000
   59    63    39    70.00000  120.10000
   63    43    48    63.00000  120.00000
   63    59    60    35.00000  120.00000
   63    39    40    35.00000  113.50000
   39    33    37    80.00000  111.64100
   41    33    37    63.00000  111.10000
   41    33    39    80.00000  111.61500
   41    44    45    75.00000  123.42600
   41    44    50    60.00000  117.08000
   41    46    66    50.00000  120.00000
   41    46    47    35.00000  112.50000
   44    41    42    45.00000  110.09800
   44    50    53    60.00000  119.52600
   44    50    66    60.00000  119.52600
   50    44    45    75.00000  123.78400
   50    53    54    35.00000  120.00000
   50    53    57    63.00000  120.00000
   50    66    64    63.00000  120.00000
   50    66    46    70.00000  120.10000
   53    57    58    35.00000  120.00000
   53    57    61    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    61    62    75.00000  120.00000
   57    61    64    63.00000  120.00000
   61    57    58    35.00000  120.00000
   61    64    65    35.00000  120.00000
   61    64    66    63.00000  120.00000
   64    61    62    75.00000  120.00000
   64    66    46    70.00000  120.10000
   66    50    53    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    46    47    35.00000  113.50000
   46    41    42    35.00000  109.50000
   46    41    44    80.00000  111.64100
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    63  -0.12500  1.0 1.0
   29    33    39    63  -0.12500 -1.0 2.0
   29    33    39    63   0.25000  1.0 3.0
   29    33    39    40  -0.12500  1.0 1.0
   29    33    39    40  -0.12500 -1.0 2.0
   29    33    39    40   0.25000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44  -2.17200  1.0 1.0
   29    33    41    44  -0.85700 -1.0 2.0
   29    33    41    46   0.71400  1.0 1.0
   29    33    41    46   0.04300 -1.0 2.0
   29    33    41    46   0.01450  1.0 3.0
   33    37    43    48   2.26350  1.0 1.0
   33    37    43    48   0.76750 -1.0 2.0
   33    37    43    48   0.22500  1.0 3.0
   33    37   -43    63   2.26350  1.0 1.0
   33    37   -43    63   0.76750 -1.0 2.0
   33    37   -43    63   0.22500  1.0 3.0
   33    41    44    45   0.00000  1.0 1.0
   33    41    44    50   0.05850 -1.0 2.0
   33    41    44    50   0.17250  1.0 3.0
   33    41    46    66  -0.12500  1.0 1.0
   33    41    46    66  -0.12500 -1.0 2.0
   33    41    46    66   0.25000  1.0 3.0
   33    41    46    47   0.00000  1.0 1.0
   37    33   -39    63  -0.12500  1.0 1.0
   37    33   -39    63  -0.12500 -1.0 2.0
   37    33   -39    63   0.25000  1.0 3.0
   37    33    39    40  -0.12500  1.0 1.0
   37    33    39    40  -0.12500 -1.0 2.0
   37    33    39    40   0.25000  1.0 3.0
   37    33    41    42  -0.03800  1.0 3.0
   37    33    41    44  -0.84850  1.0 1.0
   37    33    41    44  -0.22800 -1.0 2.0
   37    33    41    44   0.29250  1.0 3.0
   37    33    41    46   0.42250  1.0 1.0
   37    33    41    46  -0.48100 -1.0 2.0
   37    33    41    46   0.35650  1.0 3.0
   37    43    48    49   3.62500 -1.0 2.0
   37    43    48    51   3.62500 -1.0 2.0
   37    43    63    59   3.62500 -1.0 2.0
   37    43   -63    39   3.62500 -1.0 2.0
   38    37    43    48   1.05000 -1.0 2.0
   38    37    43    63   1.05000 -1.0 2.0
   43    48    51    52   3.62500 -1.0 2.0
   43    48    51    55   3.62500 -1.0 2.0
   43    63   -39    33  -1.00000  1.0 1.0
   43    63   -39    33   1.25000 -1.0 2.0
   43    63    39    40   1.00000 -1.0 2.0
   48    43    63    59   3.62500 -1.0 2.0
   48    43    63    39   3.62500 -1.0 2.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51   -55    59   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    55   3.62500 -1.0 2.0
   51    55    59    60   3.62500 -1.0 2.0
   51    55    59    63   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    59   3.62500 -1.0 2.0
   55    59   -63    43   3.62500 -1.0 2.0
   55    59    63    39   3.62500 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   56    55    59    63   3.62500 -1.0 2.0
   59    63    39    33  -1.00000  1.0 1.0
   59    63    39    33   1.25000 -1.0 2.0
   59    63    39    40   1.00000 -1.0 2.0
   60    59    63    43   3.62500 -1.0 2.0
   60    59    63    39   3.62500 -1.0 2.0
   63    43    48    49   3.62500 -1.0 2.0
   63    43   -48    51   3.62500 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.65300  1.0 1.0
   39    33   -37    43  -0.03850 -1.0 2.0
   39    33   -37    43   0.33900  1.0 3.0
   39    33    41    42   0.22950  1.0 3.0
   39    33    41    44  -2.10200  1.0 1.0
   39    33    41    44  -0.31600 -1.0 2.0
   39    33    41    44   0.13050  1.0 3.0
   39    33    41    46   2.20050  1.0 1.0
   39    33    41    46   0.63450 -1.0 2.0
   39    33    41    46  -0.91300  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.05850 -1.0 2.0
   41    33    37    43   0.17250  1.0 3.0
   41    33    39    63  -0.12500  1.0 1.0
   41    33    39    63  -0.12500 -1.0 2.0
   41    33    39    63   0.25000  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    44    50    53   2.26350  1.0 1.0
   41    44    50    53   0.76750 -1.0 2.0
   41    44    50    53   0.22500  1.0 3.0
   41    44   -50    66   2.26350  1.0 1.0
   41    44   -50    66   0.76750 -1.0 2.0
   41    44   -50    66   0.22500  1.0 3.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    50   0.00000  1.0 1.0
   42    41    46    66   0.00000  1.0 1.0
   42    41    46    47   0.00000  1.0 1.0
   44    41   -46    66  -0.12500  1.0 1.0
   44    41   -46    66  -0.12500 -1.0 2.0
   44    41   -46    66   0.25000  1.0 3.0
   44    41    46    47   0.00000  1.0 1.0
   44    50    53    54   3.62500 -1.0 2.0
   44    50    53    57   3.62500 -1.0 2.0
   44    50    66    64   3.62500 -1.0 2.0
   44    50   -66    46   3.62500 -1.0 2.0
   45    44    50    53   1.05000 -1.0 2.0
   45    44    50    66   1.05000 -1.0 2.0
   50    53    57    58   3.62500 -1.0 2.0
   50    53    57    61   3.62500 -1.0 2.0
   50    66   -46    41  -1.00000  1.0 1.0
   50    66   -46    41   1.25000 -1.0 2.0
   50    66    46    47   1.00000 -1.0 2.0
   53    50    66    64   3.62500 -1.0 2.0
   53    50    66    46   3.62500 -1.0 2.0
   53    57    61    62   3.62500 -1.0 2.0
   53    57   -61    64   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    61   3.62500 -1.0 2.0
   57    61    64    65   3.62500 -1.0 2.0
   57    61    64    66   3.62500 -1.0 2.0
   58    57    61    62   3.62500 -1.0 2.0
   58    57    61    64   3.62500 -1.0 2.0
   61    64   -66    50   3.62500 -1.0 2.0
   61    64    66    46   3.62500 -1.0 2.0
   62    61    64    65   3.62500 -1.0 2.0
   62    61    64    66   3.62500 -1.0 2.0
   64    66    46    41  -1.00000  1.0 1.0
   64    66    46    41   1.25000 -1.0 2.0
   64    66    46    47   1.00000 -1.0 2.0
   65    64    66    50   3.62500 -1.0 2.0
   65    64    66    46   3.62500 -1.0 2.0
   66    50    53    54   3.62500 -1.0 2.0
   66    50   -53    57   3.62500 -1.0 2.0
   46    41    44    45   0.00000  1.0 1.0
   46    41   -44    50   0.65300  1.0 1.0
   46    41   -44    50  -0.03850 -1.0 2.0
   46    41   -44    50   0.33900  1.0 3.0
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    43    37    38  10.50000 -1.0 2.0
   48    63    43    37   4.00000 -1.0 2.0
   51    49    48    43   1.10000 -1.0 2.0
   55    52    51    48   1.10000 -1.0 2.0
   59    56    55    51   4.00000 -1.0 2.0
   63    60    59    55   1.10000 -1.0 2.0
   59    39    63    43   4.00000 -1.0 2.0
   40    63    39    33   1.00000 -1.0 2.0
   41    50    44    45  10.50000 -1.0 2.0
   53    66    50    44   4.00000 -1.0 2.0
   57    54    53    50   1.10000 -1.0 2.0
   61    58    57    53   1.10000 -1.0 2.0
   64    62    61    57   4.00000 -1.0 2.0
   66    65    64    61   1.10000 -1.0 2.0
   64    46    66    50   4.00000 -1.0 2.0
   47    66    46    41   1.00000 -1.0 2.0
END
