* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    127    213     378
    1     0 S   NP   _N1_     1    29.13403    95.80320   -23.44381
    2     1 S   H    _HN1     2     1.02947    77.82665    10.13553
    3     1 S   H    _H1_     3     1.02838    33.09336   162.39397
    4     1 S   H    _H2_     4     1.02790   103.73800   -95.96179
    5     1 S   CT   _CA1     5     1.50081   137.30549   117.32685
    6     5 S   HC   _HA1     6     1.09586   105.24076    84.03866
    7     5 S   CO3  _C1_     7     1.53774   112.02719   -36.03389
    8     7 S   O2Z  _O11     8     1.26331   115.08347   -54.95821
    9     7 S   O2Z  _O12     9     1.26217   114.87654   123.93771
   10     5 S   CT   _CB1    10     1.53068   107.37754  -158.33398
   11    10 S   HC   HB11    11     1.09831   109.37452   -51.63159
   12    10 S   HC   HB12    12     1.09808   110.54690    64.94123
   13    10 S   CT   _CG1    13     1.52952   112.48640  -172.62147
   14    13 S   HC   HG11    14     1.09573   110.51898   -63.46119
   15    13 S   HC   HG12    15     1.09655   109.92215    55.73590
   16    13 S   C    _CD1    16     1.51785   112.16920   176.18777
   17    16 S   O    _OE1    17     1.22723   123.32158     2.72685
   18    16 S   N    _N2_    18     1.38560   111.65925  -177.43937
   19    18 S   H    _HN2    19     1.01652   118.97875     0.86275
   20    18 S   CT1  _CA2    20     1.46105   123.54035   179.46881
   21    20 S   HC   _HA2    21     1.09731   109.31516     0.72416
   22    20 S   C    _C2_    22     1.53445   108.75295  -114.90915
   23    22 S   O    _O2_    23     1.23057   122.23773  -148.02003
   24    20 S   CT   _CB2    32     1.53340   111.48788   122.54717
   25    24 S   HC   HB21    33     1.09499   110.43481    60.20055
   26    24 S   HC   HB22    34     1.09550   110.19512   177.93740
   27    22 S   N    _N3_    24     1.38325   113.69570    39.48323
   28    27 S   H    _HN3    25     1.01601   119.58515    -3.64664
   29    24 S   S    _SG2    35     1.82966   111.63041   -63.52888
   30    27 S   CT   _CA3    26     1.45293   123.14199   176.96365
   31    30 S   HC   HA31    27     1.09552   107.54408   -63.30644
   32    30 S   HC   HA32    28     1.09558   107.92697    53.10187
   33    29 S   CT   _C22    36     1.82637   100.47689   128.55157
   34    33 S   HC   _H3_    37     1.09614   110.95637    39.44000
   35    30 S   CO3  _C3_    29     1.52945   114.13530   175.06069
   36    35 S   O2Z  _O31    30     1.26367   116.06929    -1.02355
   37    35 S   O2Z  _O32    31     1.26432   114.41362   179.03288
   38    33 S   CO4  _C23    38     1.51211   109.52980   -79.69928
   39    38 S   O    _O35    39     1.23364   119.96003    70.20623
   40    38 S   CM   _C18    40     1.50679   120.23413  -110.32316
   41    40 S   CM   _C19    41     1.35225   121.08433     1.67316
   42    41 S   CM   _C14    42     1.47242   119.83749   179.66196
   43    41 S   CO4  _C20    69     1.48389   119.81564     7.07396
   44    43 S   O    _O37    70     1.22182   124.31552   152.34299
   45    42 S   CO4  _C15    43     1.50279   113.30871   -32.53059
   46    45 S   O    _O39    44     1.22245   124.45497  -137.56786
   47    42 S   CM   _C12    50     1.35478   127.01966   145.09621
   48    33 S   CO4  _C21    71     1.49290   106.84712   155.28137
   49    48 S   O    _O36    72     1.22242   125.15500   -84.67114
   50    45 S   CM   _C16    45     1.48102   113.56386    41.93783
   51    50 S   HC   _H6_    46     1.08338   118.27739   156.31853
   52    47 S   CO4  _C13    51     1.49515   121.89155    -3.41604
   53    52 S   O    _O34    52     1.22496   122.51792   -35.40933
   54    40 S   CM   _C17    47     1.47205   120.23830   177.76113
   55    52 S   CA   _C8_    53     1.48421   116.65068   146.82907
   56    54 S   OH   _O38    48     1.38218   119.25709    17.50485
   57    56 S   HO   _H7_    49     0.97231   109.44128    -2.22941
   58    55 S   CA   _C9_    54     1.40294   120.53807    16.02169
   59    58 S   CA   _C4_    55     1.40120   120.58945  -179.12040
   60    59 S   HA   _H4_    56     1.08701   120.68197  -179.87646
   61    58 S   CO4  _C10    65     1.47543   120.97975     2.03182
   62    61 S   O    _O33    66     1.22110   122.97387  -178.46328
   63    59 S   CA   _C5_    57     1.39235   119.47191    -0.19979
   64    47 S   CO4  _C11    67     1.48541   122.78849  -178.52661
   65    64 S   O    _O40    68     1.21916   125.67288    40.63080
   66    63 S   CA   _C6_    58     1.39042   120.79864    -0.06853
   67    66 S   HA   _H5_    59     1.08697   120.15630   179.97202
   68    63 S   OH   _O42    63     1.36619   121.06769  -179.96044
   69    68 S   HO   _H9_    64     0.97250   108.77524    -0.20936
   70    55 S   CA   _C7_    60     1.40443   120.64888  -163.47493
   71    70 S   OH   _O41    61     1.36939   123.45243    -0.08623
   72    71 S   HO   _H8_    62     0.97354   109.27366    -1.70915
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  10   6   2   1   1  10   4  12  13  15   6   2   8   4  10   1
   1   4   2  10   4   2  12   1   1  11  10   4   5   2   6   1
   1   6   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    54    43    44    48    49  
   38    39    40    43    48    49  
   36    37  
   37  
    0  
   39    40    41    42    50    54    56    43    48    49  
   40    41    54    48  
   41    42    45    50    51    54    56    57    47    43    44    48  
   42    45    46    50    54    56    47    52    64    43    44    48    49  
   45    46    50    51    54    47    52    53    55    61    64    65    43    44    48  
   44    48    49    45    47    54  
   48    49  
   46    50    51    54    56    47    52    64  
   50    51    54    47  
   52    53    55    58    70    61    62    64    65    50  
   49  
    0  
   51    54    56    57  
   54    56  
   53    55    58    59    66    70    71    61    64    65  
   55    58    70    64  
   56    57  
   58    59    60    63    66    67    70    71    72    61    62    64  
   57  
    0  
   59    60    63    66    70    71    68    61    62    64    65  
   60    63    66    67    70    68    69    61    62    64  
   63    66    68    61  
   62    64    65    63    70  
   64    65  
   66    67    70    71    68    69  
   65  
    0  
   67    70    71    72    68    69  
   70    71    68  
   69    70  
    0  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   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  1.522
   33    48   317.000  1.522
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    54   380.000  1.444
   41    42   380.000  1.444
   41    43   320.000  1.462
   42    45   320.000  1.462
   42    47   549.000  1.340
   45    46   570.000  1.229
   45    50   320.000  1.462
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    56   510.000  1.338
   56    57   553.000  0.945
   47    52   320.000  1.462
   47    64   320.000  1.462
   52    53   570.000  1.229
   52    55   310.000  1.470
   55    58   469.000  1.400
   55    70   469.000  1.400
   58    59   469.000  1.400
   58    61   310.000  1.470
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    66   469.000  1.400
   63    68   450.000  1.364
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   68    69   553.000  0.945
   61    62   570.000  1.229
   61    64   250.000  1.523
   64    65   570.000  1.229
   43    44   570.000  1.229
   43    48   250.000  1.523
   48    49   570.000  1.229
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  110.18000
   29    33    48    75.00000  110.18000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    48    43    65.00000  115.45000
   33    48    49    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    54    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    41    42    70.00000  123.01800
   40    41    43    65.00000  118.96000
   40    54    50    70.00000  123.01800
   40    54    56    80.00000  121.38400
   41    42    45    65.00000  118.96000
   41    42    47    70.00000  123.01800
   41    43    44    80.00000  123.72100
   41    43    48    65.00000  116.00000
   42    45    46    80.00000  123.72100
   42    45    50    65.00000  118.65900
   42    47    52    65.00000  118.96000
   42    47    64    65.00000  118.96000
   45    50    51    40.00000  117.72500
   45    50    54    65.00000  118.96000
   50    45    46    80.00000  123.72100
   50    54    56    80.00000  121.38400
   54    40    41    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    56    57    70.00000  107.45700
   47    42    45    65.00000  118.96000
   47    52    53    80.00000  123.72100
   47    52    55    65.00000  117.02400
   47    64    61    65.00000  116.00000
   47    64    65    80.00000  123.72100
   52    55    58    60.00000  119.52600
   52    55    70    60.00000  119.52600
   55    52    53    75.00000  123.78400
   55    58    59    63.00000  120.00000
   55    58    61    60.00000  119.52600
   55    70    66    63.00000  120.00000
   55    70    71    70.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    63    63.00000  120.00000
   58    61    62    75.00000  123.78400
   58    61    64    60.00000  117.28700
   59    63    66    63.00000  120.00000
   59    63    68    70.00000  120.00000
   63    59    60    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    70    63.00000  120.00000
   63    68    69    35.00000  113.00000
   66    70    71    70.00000  120.00000
   70    55    58    63.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    72    35.00000  113.00000
   68    63    66    70.00000  120.00000
   61    58    59    60.00000  119.52600
   61    64    65    80.00000  119.30300
   64    47    52    65.00000  115.30000
   64    61    62    80.00000  119.30300
   43    41    42    65.00000  118.96000
   43    48    49    80.00000  119.30300
   48    33    34    35.00000  109.50000
   48    33    38    75.00000  107.99600
   48    43    44    80.00000  119.30300
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.65300  1.0 1.0
   29    33    48    43  -0.03850 -1.0 2.0
   29    33    48    43   0.33900  1.0 3.0
   29    33    48    49   0.30150 -1.0 2.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    54  -0.33500  1.0 1.0
   33    38    40    54   1.06600 -1.0 2.0
   33    38    40    54  -0.14000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43   0.00000  1.0 1.0
   34    33    48    49   0.00000  1.0 1.0
   38    33    48    43   0.65300  1.0 1.0
   38    33    48    43  -0.03850 -1.0 2.0
   38    33    48    43   0.33900  1.0 3.0
   38    33    48    49   0.30150 -1.0 2.0
   38    40    41    42   7.00000 -1.0 2.0
   38    40   -41    43   7.00000 -1.0 2.0
   38    40    54    50  -0.18600  1.0 3.0
   38    40    54    56   1.08500 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    54   1.00000 -1.0 2.0
   40    41    42    45  -0.18600  1.0 3.0
   40    41    42    47   0.28850  1.0 1.0
   40    41    42    47   2.61350 -1.0 2.0
   40    41    42    47   0.78400  1.0 3.0
   40    41    43    44   1.00000 -1.0 2.0
   40    41    43    48   0.50400  1.0 1.0
   40    41    43    48   1.60000 -1.0 2.0
   40    41    43    48  -0.01800  1.0 3.0
   40    54    56    57  -0.66100  1.0 1.0
   40    54    56    57   1.20850 -1.0 2.0
   40    54    56    57  -0.36000  1.0 3.0
   41    40    54    50   0.28850  1.0 1.0
   41    40    54    50   2.61350 -1.0 2.0
   41    40    54    50   0.78400  1.0 3.0
   41    40    54    56   0.50950  1.0 1.0
   41    40    54    56   0.56650 -1.0 2.0
   41    40    54    56   0.34050  1.0 3.0
   41    42    45    46   1.00000 -1.0 2.0
   41    42   -45    50  -1.18350  1.0 1.0
   41    42   -45    50   1.45950 -1.0 2.0
   41    42    47    52   7.00000 -1.0 2.0
   41    42    47    64   7.00000 -1.0 2.0
   41    43   -48    33   0.43900  1.0 1.0
   41    43   -48    33  -0.18150 -1.0 2.0
   41    43   -48    33  -0.03650  1.0 3.0
   41    43    48    49   0.03000  1.0 1.0
   41    43    48    49   0.58800 -1.0 2.0
   41    43    48    49   0.15550  1.0 3.0
   42    41    43    44   1.00000 -1.0 2.0
   42    41    43    48   0.50400  1.0 1.0
   42    41    43    48   1.60000 -1.0 2.0
   42    41    43    48  -0.01800  1.0 3.0
   42    45    50    51   0.93700 -1.0 2.0
   42    45    50    54  -1.18350  1.0 1.0
   42    45    50    54   1.45950 -1.0 2.0
   42    47    52    53   1.00000 -1.0 2.0
   42    47    52    55  -1.65800  1.0 1.0
   42    47    52    55   0.77650 -1.0 2.0
   42    47    64    61   0.50400  1.0 1.0
   42    47    64    61   1.60000 -1.0 2.0
   42    47    64    61  -0.01800  1.0 3.0
   42    47    64    65   1.00000 -1.0 2.0
   45    42    47    52   7.00000 -1.0 2.0
   45    42    47    64   7.00000 -1.0 2.0
   45    50   -54    40   7.00000 -1.0 2.0
   45    50    54    56   7.00000 -1.0 2.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    54   1.00000 -1.0 2.0
   50    54    56    57  -0.66100  1.0 1.0
   50    54    56    57   1.20850 -1.0 2.0
   50    54    56    57  -0.36000  1.0 3.0
   51    50    54    40   7.00000 -1.0 2.0
   51    50    54    56   7.00000 -1.0 2.0
   54    40   -41    42   7.00000 -1.0 2.0
   54    40    41    43   7.00000 -1.0 2.0
   47    42    45    46   1.00000 -1.0 2.0
   47    42    45    50  -1.18350  1.0 1.0
   47    42    45    50   1.45950 -1.0 2.0
   47    52    55    58  -0.11500  1.0 1.0
   47    52    55    58   1.10450 -1.0 2.0
   47    52    55    58  -0.48050  1.0 3.0
   47    52    55    70  -0.11500  1.0 1.0
   47    52    55    70   1.10450 -1.0 2.0
   47    52    55    70  -0.48050  1.0 3.0
   52    47    64    61   1.50000 -1.0 2.0
   52    47    64    65   2.50000 -1.0 2.0
   52    55    58    59   3.62500 -1.0 2.0
   52    55   -58    61   3.62500 -1.0 2.0
   52    55    70    66   3.62500 -1.0 2.0
   52    55    70    71   3.62500 -1.0 2.0
   53    52    55    58   1.05000 -1.0 2.0
   53    52    55    70   1.05000 -1.0 2.0
   55    58    59    60   3.62500 -1.0 2.0
   55    58    59    63   3.62500 -1.0 2.0
   55    58    61    62   1.05000 -1.0 2.0
   55    58    61    64   0.56600 -1.0 2.0
   55    70    71    72   0.84100 -1.0 2.0
   58    55    70    66   3.62500 -1.0 2.0
   58    55    70    71   3.62500 -1.0 2.0
   58    59   -63    66   3.62500 -1.0 2.0
   58    59    63    68   3.62500 -1.0 2.0
   58    61   -64    47   0.43900  1.0 1.0
   58    61   -64    47  -0.18150 -1.0 2.0
   58    61   -64    47  -0.03650  1.0 3.0
   58    61    64    65   0.03000  1.0 1.0
   58    61    64    65   0.58800 -1.0 2.0
   58    61    64    65   0.15550  1.0 3.0
   59    58    61    62   1.05000 -1.0 2.0
   59    58    61    64   0.56600 -1.0 2.0
   59    63    66    67   3.62500 -1.0 2.0
   59    63    66    70   3.62500 -1.0 2.0
   59    63    68    69   0.84100 -1.0 2.0
   60    59    63    66   3.62500 -1.0 2.0
   60    59    63    68   3.62500 -1.0 2.0
   63    66   -70    55   3.62500 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   66    63    68    69   0.84100 -1.0 2.0
   66    70    71    72   0.84100 -1.0 2.0
   67    66    70    55   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   70    55   -58    59   3.62500 -1.0 2.0
   70    55    58    61   3.62500 -1.0 2.0
   68    63    66    67   3.62500 -1.0 2.0
   68    63    66    70   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    63   3.62500 -1.0 2.0
   62    61    64    47   0.03000  1.0 1.0
   62    61    64    47   0.58800 -1.0 2.0
   62    61    64    47   0.15550  1.0 3.0
   62    61    64    65   0.06100 -1.0 2.0
   64    47    52    53   2.50000 -1.0 2.0
   64    47   -52    55   1.50000 -1.0 2.0
   43    41    42    45   1.08500 -1.0 2.0
   43    41    42    47  -0.18600  1.0 3.0
   44    43    48    33   0.49600 -1.0 2.0
   44    43    48    49   0.06100 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  1.0 3.0
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    40    38    39  10.50000 -1.0 2.0
   38    54    40    41   1.10000 -1.0 2.0
   42    43    41    40   1.10000 -1.0 2.0
   41    45    42    47   1.10000 -1.0 2.0
   42    50    45    46  10.50000 -1.0 2.0
   45    51    50    54   1.10000 -1.0 2.0
   40    56    54    50   1.10000 -1.0 2.0
   52    64    47    42   1.10000 -1.0 2.0
   47    55    52    53  10.50000 -1.0 2.0
   58    70    55    52   4.00000 -1.0 2.0
   59    61    58    55   4.00000 -1.0 2.0
   63    60    59    58   1.10000 -1.0 2.0
   66    68    63    59   4.00000 -1.0 2.0
   70    67    66    63   1.10000 -1.0 2.0
   66    71    70    55   4.00000 -1.0 2.0
   58    64    61    62  10.50000 -1.0 2.0
   47    61    64    65  10.50000 -1.0 2.0
   41    48    43    44  10.50000 -1.0 2.0
   33    43    48    49  10.50000 -1.0 2.0
END
