* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    145    238     427
    1     0 S   NP   _N1_     1    29.03799    95.33370   -19.66210
    2     1 S   H    _HN1     2     1.02777    80.15085   -79.16435
    3     1 S   H    _H1_     3     1.02962    91.11442    29.25193
    4     1 S   H    _H2_     4     1.02837    38.92483   145.49161
    5     1 S   CT   _CA1     5     1.50111   148.65429   163.84396
    6     5 S   HC   _HA1     6     1.09571   105.26021    46.92849
    7     5 S   CO3  _C1_     7     1.53807   112.37300   -73.35242
    8     7 S   O2Z  _O11     8     1.26360   114.99221   -43.69989
    9     7 S   O2Z  _O12     9     1.26239   114.93281   135.53088
   10     5 S   CT   _CB1    10     1.53097   107.44030   164.90644
   11    10 S   HC   HB11    11     1.09820   109.43029   -50.32161
   12    10 S   HC   HB12    12     1.09824   110.37379    66.26727
   13    10 S   CT   _CG1    13     1.52989   112.63518  -171.43019
   14    13 S   HC   HG11    14     1.09584   110.34683   -61.75046
   15    13 S   HC   HG12    15     1.09638   110.08135    57.41988
   16    13 S   C    _CD1    16     1.51816   112.29552   177.77243
   17    16 S   O    _OE1    17     1.22717   123.26974    -6.51812
   18    16 S   N    _N2_    18     1.38589   111.60025   173.70294
   19    18 S   H    _HN2    19     1.01596   118.95453     1.31328
   20    18 S   CT1  _CA2    20     1.46270   123.51418  -177.81161
   21    20 S   HC   _HA2    21     1.09728   109.40890   -14.68980
   22    20 S   C    _C2_    22     1.53396   108.26367  -130.46109
   23    22 S   O    _O2_    23     1.23007   122.26376  -145.69951
   24    20 S   CT   _CB2    32     1.53463   111.12130   107.49788
   25    24 S   HC   HB21    33     1.09397   109.34656    54.19123
   26    24 S   HC   HB22    34     1.09499   110.80396   172.72468
   27    22 S   N    _N3_    24     1.38514   113.32904    41.66472
   28    27 S   H    _HN3    25     1.01531   118.91403    -0.61612
   29    24 S   S    _SG2    35     1.82830   111.55827   -67.96239
   30    27 S   CT   _CA3    26     1.45454   123.47279   175.11485
   31    30 S   HC   HA31    27     1.09521   109.27051    23.66810
   32    30 S   HC   HA32    28     1.09496   107.11101   140.68007
   33    29 S   CT   _C9_    36     1.84755   100.30724   156.87769
   34    33 S   HC   _H4_    37     1.09554   102.99426    46.08400
   35    30 S   CO3  _C3_    29     1.52925   113.10201   -99.83192
   36    35 S   O2Z  _O31    30     1.26403   115.40249   -44.34734
   37    35 S   O2Z  _O32    31     1.26354   114.98408   136.58644
   38    33 S   CT   _C8_    38     1.54251   111.30961   160.16787
   39    38 S   HC   _H3_    39     1.09947   108.20441   -57.45673
   40    33 S   CT   _C10    54     1.54363   114.28551   -70.15467
   41    40 S   HC   _H5_    55     1.09979   106.15972    76.70407
   42    38 S   C3T  _C7_    40     1.53164   112.75720  -174.70991
   43    38 S   CO4  _C17    71     1.52576   112.77271    58.62847
   44    43 S   O    _O33    72     1.22741   124.64996   112.92908
   45    43 S   HC   _H22    73     1.10312   115.64097   -67.74139
   46    42 S   C3T  _C6_    41     1.52338   119.66233    30.54686
   47    46 S   HC   _H10    42     1.08133   121.68384     1.28344
   48    46 S   HC   _H11    43     1.08702   117.94612   144.73229
   49    42 S   CO4  _C18    68     1.50206   115.30923   173.53926
   50    49 S   O    _O34    69     1.22464   121.14995   -74.12765
   51    49 S   HC   _H23    70     1.10242   116.77965   104.47472
   52    42 S   C3T  _C5_    44     1.52979   117.55258   -38.08948
   53    52 S   CT   _C11    45     1.52663   119.58123     3.19568
   54    53 S   HC   _H6_    46     1.09975   106.03178   135.16604
   55    52 S   CT   _C4_    64     1.51739   119.99831  -147.39160
   56    55 S   HC   _H7_    65     1.09447   110.72928    77.42103
   57    55 S   HC   _H8_    66     1.09548   112.43763   -42.76656
   58    55 S   HC   _H9_    67     1.09529   110.41345  -162.30558
   59    53 S   CT   _C12    47     1.54258   112.80722  -107.51523
   60    59 S   HC   _H12    48     1.09597   111.61018   -81.94815
   61    59 S   HC   _H13    49     1.09726   110.11813    36.87474
   62    59 S   CT   _C13    50     1.53100   105.78322   155.78113
   63    62 S   CT   _C14    51     1.53140   101.22504   -40.19413
   64    63 S   HC   _H14    52     1.09493   109.90634   -80.75101
   65    63 S   HC   _H15    53     1.09548   111.63017   160.35937
   66    62 S   CT   _C15    56     1.53697   111.77705    78.79896
   67    66 S   HC   _H16    57     1.09583   110.80735    63.85165
   68    66 S   HC   _H17    58     1.09432   112.61132   -56.42469
   69    66 S   HC   _H18    59     1.09597   110.79293  -176.64065
   70    62 S   CT   _C16    60     1.53083   111.52737  -158.84010
   71    70 S   HC   _H19    61     1.09557   111.02783   -63.53862
   72    70 S   HC   _H20    62     1.09520   110.94308   176.34505
   73    70 S   HC   _H21    63     1.09575   111.54880    56.42827
  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  10   5   4   3
  19   8   2   1   1  17   8  17   8  17   5   1   1  13   5   4
   5   2   1  11  14   6   4   2   1   1  14   5   4  11  10   3
   2   7   3   2   1   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    53    63    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    52    53    54    59    62    63    64    65    40    41    49    43    44    45  
   38    39    42    53    63    40    41    43  
   36    37  
   37  
    0  
   39    42    46    47    48    52    53    63    40    41    55    49    50    51    43    44    45  
   42    46    52    40    49    43    44    45  
   41    66    70    55    43    42    46    52    53    54    59    60    61    62    63    64    65  
   52    53    54    59    62    63    64    65  
   46    47    48    52    53    54    59    55    56    57    58    49    50    51    43    44    45  
   44    45    46    49    52  
   45  
    0  
   47    48    52    53    54    59    55    56    57    58    49    50    51  
   48    52    53    55    49  
   52    53    55    49  
   50    51    52    53    55  
   51    52  
   52  
   53    54    59    60    61    62    63    55    56    57    58  
   54    59    60    61    62    63    64    65    66    70    55    56    57    58  
   59    60    61    62    63    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    67    68    69    70    71    72    73  
   61    62    63    66    70  
   62    63    66    70  
   63    64    65    66    67    68    69    70    71    72    73  
   64    65    66    67    68    69    70    71    72    73  
   65    66    70  
   66    70  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.082800   1.9750   1.7500   0.005000000  -0.741685710
   43   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.367200   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   51   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   275.000  1.510
   38    43   317.000  1.522
   42    46   260.000  1.509
   42    52   260.000  1.509
   42    49   290.000  1.496
   46    47   340.000  1.088
   46    48   340.000  1.088
   46    52   260.000  1.509
   52    53   275.000  1.510
   52    55   275.000  1.510
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    40   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   268.000  1.529
   62    66   268.000  1.529
   62    70   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    40   268.000  1.529
   40    41   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   49    50   570.000  1.229
   49    51   340.000  1.090
   43    44   570.000  1.229
   43    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.37300
   33    38    43    63.00000  111.10000
   33    40    53    58.35000  112.70000
   33    40    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    42    46    60.00000  120.94000
   38    42    52    60.00000  120.94000
   38    42    49    63.00000  111.10000
   38    43    44    80.00000  120.40000
   38    43    45    35.00000  115.00000
   42    38    39    45.00000  109.38400
   42    46    47    37.50000  117.20000
   42    46    48    37.50000  117.20000
   42    46    52    10.00000   60.00500
   42    52    46    10.00000   60.00500
   42    52    53    60.00000  120.94000
   42    52    55    60.00000  120.94000
   42    49    50    75.00000  121.36600
   42    49    51    40.00000  115.82000
   46    52    53    60.00000  120.94000
   46    52    55    60.00000  120.94000
   48    46    47    35.00000  114.30000
   52    42    46    10.00000   60.00500
   52    46    47    37.50000  117.20000
   52    46    48    37.50000  117.20000
   52    53    54    45.00000  109.38400
   52    53    59    70.00000  112.37300
   52    53    40    70.00000  112.37300
   52    55    56    45.00000  109.38400
   52    55    57    45.00000  109.38400
   52    55    58    45.00000  109.38400
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    58.35000  112.70000
   53    40    63    58.35000  112.70000
   53    40    41    37.50000  110.70000
   59    53    54    37.50000  110.70000
   59    62    63    58.35000  112.70000
   59    62    66    58.35000  112.70000
   59    62    70    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    40    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    73    37.50000  110.70000
   63    40    41    37.50000  110.70000
   65    63    64    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    53    54    37.50000  110.70000
   40    53    59    58.35000  112.70000
   40    63    64    37.50000  110.70000
   40    63    65    37.50000  110.70000
   66    62    63    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    62    63    58.35000  112.70000
   70    62    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   55    52    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   49    42    46    65.00000  117.18000
   49    42    52    65.00000  117.18000
   51    49    50    35.00000  123.00000
   43    38    39    35.00000  109.50000
   43    38    42    63.00000  111.10000
   45    43    44    35.00000  123.00000
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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    53   0.44750  1.0 1.0
   29    33    40    53  -0.17800 -1.0 2.0
   29    33    40    53   0.20200  1.0 3.0
   29    33    40    63   0.44750  1.0 1.0
   29    33    40    63  -0.17800 -1.0 2.0
   29    33    40    63   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   33    38    42    46   0.07850  1.0 1.0
   33    38    42    46  -0.03950 -1.0 2.0
   33    38    42    46   0.67350  1.0 3.0
   33    38    42    52   0.07850  1.0 1.0
   33    38    42    52  -0.03950 -1.0 2.0
   33    38    42    52   0.67350  1.0 3.0
   33    38    42    49  -0.95700  1.0 1.0
   33    38    42    49  -0.18200 -1.0 2.0
   33    38    42    49   0.29450  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    45   0.74550  1.0 1.0
   33    38    43    45  -0.00500 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    53   0.15000  1.0 3.0
   34    33    40    63   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   38    33    40    53   0.56750  1.0 1.0
   38    33    40    53  -0.07550 -1.0 2.0
   38    33    40    53   0.20000  1.0 3.0
   38    33    40    63   0.56750  1.0 1.0
   38    33    40    63  -0.07550 -1.0 2.0
   38    33    40    63   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    42    46    47   0.15000  1.0 3.0
   38    42    46    48   0.15000  1.0 3.0
   38    42   -46    52   0.07850  1.0 1.0
   38    42   -46    52  -0.03950 -1.0 2.0
   38    42   -46    52   0.67350  1.0 3.0
   38    42   -52    46   0.07850  1.0 1.0
   38    42   -52    46  -0.03950 -1.0 2.0
   38    42   -52    46   0.67350  1.0 3.0
   38    42   -52    53   0.56750  1.0 1.0
   38    42   -52    53  -0.07550 -1.0 2.0
   38    42   -52    53   0.20000  1.0 3.0
   38    42    52    55   0.56750  1.0 1.0
   38    42    52    55  -0.07550 -1.0 2.0
   38    42    52    55   0.20000  1.0 3.0
   38    42    49    50   0.30150 -1.0 2.0
   38    42    49    51   0.74550  1.0 1.0
   38    42    49    51  -0.00500 -1.0 2.0
   39    38    42    46   0.15000  1.0 3.0
   39    38    42    52   0.15000  1.0 3.0
   39    38    42    49  -0.11250  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   42    38    43    44   0.30150 -1.0 2.0
   42    38    43    45   0.74550  1.0 1.0
   42    38    43    45  -0.00500 -1.0 2.0
   42    46   -52    53   0.07850  1.0 1.0
   42    46   -52    53  -0.03950 -1.0 2.0
   42    46   -52    53   0.67350  1.0 3.0
   42    46   -52    55   0.07850  1.0 1.0
   42    46   -52    55  -0.03950 -1.0 2.0
   42    46   -52    55   0.67350  1.0 3.0
   42    52    53    54   0.15000  1.0 3.0
   42    52    53    59   0.07850  1.0 1.0
   42    52    53    59  -0.03950 -1.0 2.0
   42    52    53    59   0.67350  1.0 3.0
   42    52    53    40   0.07850  1.0 1.0
   42    52    53    40  -0.03950 -1.0 2.0
   42    52    53    40   0.67350  1.0 3.0
   42    52    55    56   0.15000  1.0 3.0
   42    52    55    57   0.15000  1.0 3.0
   42    52    55    58   0.15000  1.0 3.0
   46    42   -52    53   0.07850  1.0 1.0
   46    42   -52    53  -0.03950 -1.0 2.0
   46    42   -52    53   0.67350  1.0 3.0
   46    42   -52    55   0.07850  1.0 1.0
   46    42   -52    55  -0.03950 -1.0 2.0
   46    42   -52    55   0.67350  1.0 3.0
   46    42    49    50   0.30150 -1.0 2.0
   46    42    49    51   0.74550  1.0 1.0
   46    42    49    51  -0.00500 -1.0 2.0
   46    52    53    54   0.15000  1.0 3.0
   46    52    53    59   0.07850  1.0 1.0
   46    52    53    59  -0.03950 -1.0 2.0
   46    52    53    59   0.67350  1.0 3.0
   46    52    53    40   0.07850  1.0 1.0
   46    52    53    40  -0.03950 -1.0 2.0
   46    52    53    40   0.67350  1.0 3.0
   46    52    55    56   0.15000  1.0 3.0
   46    52    55    57   0.15000  1.0 3.0
   46    52    55    58   0.15000  1.0 3.0
   47    46   -52    42   0.15000  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    55   0.15000  1.0 3.0
   48    46   -52    42   0.15000  1.0 3.0
   48    46    52    53   0.15000  1.0 3.0
   48    46    52    55   0.15000  1.0 3.0
   52    42   -46    47   0.15000  1.0 3.0
   52    42   -46    48   0.15000  1.0 3.0
   52    42    49    50   0.30150 -1.0 2.0
   52    42    49    51   0.74550  1.0 1.0
   52    42    49    51  -0.00500 -1.0 2.0
   52    53    59    60   0.15000  1.0 3.0
   52    53    59    61   0.15000  1.0 3.0
   52    53    59    62   0.47050  1.0 1.0
   52    53    59    62   0.03900 -1.0 2.0
   52    53    59    62   0.20100  1.0 3.0
   52    53   -40    33   0.47050  1.0 1.0
   52    53   -40    33   0.03900 -1.0 2.0
   52    53   -40    33   0.20100  1.0 3.0
   52    53    40    63   0.47050  1.0 1.0
   52    53    40    63   0.03900 -1.0 2.0
   52    53    40    63   0.20100  1.0 3.0
   52    53    40    41   0.15000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   53    59   -62    63   0.56750  1.0 1.0
   53    59   -62    63  -0.07550 -1.0 2.0
   53    59   -62    63   0.20000  1.0 3.0
   53    59    62    66   0.56750  1.0 1.0
   53    59    62    66  -0.07550 -1.0 2.0
   53    59    62    66   0.20000  1.0 3.0
   53    59    62    70   0.56750  1.0 1.0
   53    59    62    70  -0.07550 -1.0 2.0
   53    59    62    70   0.20000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   54    53    40    33   0.15000  1.0 3.0
   54    53    40    63   0.15000  1.0 3.0
   54    53    40    41   0.15000  1.0 3.0
   59    53    40    33   0.56750  1.0 1.0
   59    53    40    33  -0.07550 -1.0 2.0
   59    53    40    33   0.20000  1.0 3.0
   59    53   -40    63   0.56750  1.0 1.0
   59    53   -40    63  -0.07550 -1.0 2.0
   59    53   -40    63   0.20000  1.0 3.0
   59    53    40    41   0.15000  1.0 3.0
   59    62    63    64   0.15000  1.0 3.0
   59    62    63    65   0.15000  1.0 3.0
   59    62   -63    40   0.56750  1.0 1.0
   59    62   -63    40  -0.07550 -1.0 2.0
   59    62   -63    40   0.20000  1.0 3.0
   59    62    66    67   0.15000  1.0 3.0
   59    62    66    68   0.15000  1.0 3.0
   59    62    66    69   0.15000  1.0 3.0
   59    62    70    71   0.15000  1.0 3.0
   59    62    70    72   0.15000  1.0 3.0
   59    62    70    73   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   60    59    62    70   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    66   0.15000  1.0 3.0
   61    59    62    70   0.15000  1.0 3.0
   62    63    40    33   0.56750  1.0 1.0
   62    63    40    33  -0.07550 -1.0 2.0
   62    63    40    33   0.20000  1.0 3.0
   62    63   -40    53   0.56750  1.0 1.0
   62    63   -40    53  -0.07550 -1.0 2.0
   62    63   -40    53   0.20000  1.0 3.0
   62    63    40    41   0.15000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    73   0.15000  1.0 3.0
   64    63    40    33   0.15000  1.0 3.0
   64    63    40    53   0.15000  1.0 3.0
   64    63    40    41   0.15000  1.0 3.0
   65    63    40    33   0.15000  1.0 3.0
   65    63    40    53   0.15000  1.0 3.0
   65    63    40    41   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.47050  1.0 1.0
   40    33   -38    42   0.03900 -1.0 2.0
   40    33   -38    42   0.20100  1.0 3.0
   40    33    38    43  -0.95700  1.0 1.0
   40    33    38    43  -0.18200 -1.0 2.0
   40    33    38    43   0.29450  1.0 3.0
   40    53    59    60   0.15000  1.0 3.0
   40    53    59    61   0.15000  1.0 3.0
   40    53   -59    62   0.56750  1.0 1.0
   40    53   -59    62  -0.07550 -1.0 2.0
   40    53   -59    62   0.20000  1.0 3.0
   66    62    63    64   0.15000  1.0 3.0
   66    62    63    65   0.15000  1.0 3.0
   66    62    63    40   0.56750  1.0 1.0
   66    62    63    40  -0.07550 -1.0 2.0
   66    62    63    40   0.20000  1.0 3.0
   66    62    70    71   0.15000  1.0 3.0
   66    62    70    72   0.15000  1.0 3.0
   66    62    70    73   0.15000  1.0 3.0
   70    62    63    64   0.15000  1.0 3.0
   70    62    63    65   0.15000  1.0 3.0
   70    62    63    40   0.56750  1.0 1.0
   70    62    63    40  -0.07550 -1.0 2.0
   70    62    63    40   0.20000  1.0 3.0
   70    62    66    67   0.15000  1.0 3.0
   70    62    66    68   0.15000  1.0 3.0
   70    62    66    69   0.15000  1.0 3.0
   55    52    53    54   0.15000  1.0 3.0
   55    52    53    59   0.56750  1.0 1.0
   55    52    53    59  -0.07550 -1.0 2.0
   55    52    53    59   0.20000  1.0 3.0
   55    52    53    40   0.56750  1.0 1.0
   55    52    53    40  -0.07550 -1.0 2.0
   55    52    53    40   0.20000  1.0 3.0
   49    42    46    47   0.15000  1.0 3.0
   49    42    46    48   0.15000  1.0 3.0
   49    42   -46    52  -0.95700  1.0 1.0
   49    42   -46    52  -0.18200 -1.0 2.0
   49    42   -46    52   0.29450  1.0 3.0
   49    42   -52    46  -0.95700  1.0 1.0
   49    42   -52    46  -0.18200 -1.0 2.0
   49    42   -52    46   0.29450  1.0 3.0
   49    42    52    53  -0.95700  1.0 1.0
   49    42    52    53  -0.18200 -1.0 2.0
   49    42    52    53   0.29450  1.0 3.0
   49    42    52    55  -0.95700  1.0 1.0
   49    42    52    55  -0.18200 -1.0 2.0
   49    42    52    55   0.29450  1.0 3.0
   43    38    42    46  -0.95700  1.0 1.0
   43    38    42    46  -0.18200 -1.0 2.0
   43    38    42    46   0.29450  1.0 3.0
   43    38    42    52  -0.95700  1.0 1.0
   43    38    42    52  -0.18200 -1.0 2.0
   43    38    42    52   0.29450  1.0 3.0
   43    38    42    49   0.11950  1.0 1.0
   43    38    42    49   0.20300 -1.0 2.0
   43    38    42    49  -0.70800  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
   42    51    49    50  10.50000 -1.0 2.0
   38    45    43    44  10.50000 -1.0 2.0
END
