* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    104    162     308
    1     0 S   NP   _N1_     1    28.35159    94.65347   -23.57437
    2     1 S   H    _HN1     2     1.02834    27.96274   177.88409
    3     1 S   H    _H1_     3     1.02779   106.45744   -84.79230
    4     1 S   H    _H2_     4     1.02960    81.50076    21.92842
    5     1 S   CT   _CA1     5     1.50152   132.30550   131.76657
    6     5 S   HC   _HA1     6     1.09580   105.17127    80.28479
    7     5 S   CO3  _C1_     7     1.53746   112.41643   -39.78963
    8     7 S   O2Z  _O11     8     1.26359   114.97974   -42.44363
    9     7 S   O2Z  _O12     9     1.26237   114.90656   136.53901
   10     5 S   CT   _CB1    10     1.53078   107.39796  -161.88779
   11    10 S   HC   HB11    11     1.09830   109.15568   -50.96594
   12    10 S   HC   HB12    12     1.09815   110.47384    65.52607
   13    10 S   CT   _CG1    13     1.53041   112.77850  -172.08260
   14    13 S   HC   HG11    14     1.09591   110.50297   -67.07971
   15    13 S   HC   HG12    15     1.09665   109.89926    52.16303
   16    13 S   C    _CD1    16     1.51855   112.25505   172.38403
   17    16 S   O    _OE1    17     1.22737   123.22103     2.17286
   18    16 S   N    _N2_    18     1.38643   111.74106  -177.37490
   19    18 S   H    _HN2    19     1.01581   119.01624     0.59182
   20    18 S   CT1  _CA2    20     1.46137   123.36417   177.84015
   21    20 S   HC   _HA2    21     1.09734   109.39028     1.36630
   22    20 S   C    _C2_    22     1.53616   108.80368  -114.26412
   23    22 S   O    _O2_    23     1.23080   122.12383  -146.12100
   24    20 S   CT   _CB2    32     1.53249   111.72505   123.41473
   25    24 S   HC   HB21    33     1.09596   110.18969    55.94858
   26    24 S   HC   HB22    34     1.09413   109.57617   174.75678
   27    22 S   N    _N3_    24     1.38460   113.68780    41.32089
   28    27 S   H    _HN3    25     1.01474   119.03925    -0.42613
   29    24 S   S    _SG2    35     1.82807   112.10376   -65.26424
   30    27 S   CT   _CA3    26     1.45447   123.38525   175.17818
   31    30 S   HC   HA31    27     1.09525   109.26346    25.06103
   32    30 S   HC   HA32    28     1.09497   107.14525   142.04919
   33    29 S   CT   _C13    36     1.84860    99.17654   178.33434
   34    33 S   HC   _H3_    37     1.09215   106.03892   -45.92692
   35    30 S   CO3  _C3_    29     1.52902   112.96560   -98.42183
   36    35 S   O2Z  _O31    30     1.26411   115.30676   -47.66250
   37    35 S   O2Z  _O32    31     1.26340   115.04878   133.21491
   38    33 S   CM   _C12    38     1.51201   108.13641    73.76910
   39    38 S   HC   _H10    39     1.09058   115.39299    62.60905
   40    33 S   CT   _C14    55     1.53844   111.67798  -163.87331
   41    40 S   HC   _H4_    56     1.09839   108.64245  -174.78233
   42    38 S   CM   _C11    40     1.34140   128.42823  -115.29548
   43    42 S   HC   _H9_    41     1.08633   119.01411   176.41390
   44    40 S   CO3  _C15    57     1.54422   116.24429    66.70163
   45    44 S   O2Z  _O35    58     1.26231   116.16500    25.80802
   46    44 S   O2Z  _O34    59     1.26625   114.60870  -155.98298
   47    40 S   OH   _O36    60     1.43530   110.85681   -58.27576
   48    47 S   HO   _H11    61     0.97471   106.68136   165.82525
   49    42 S   CO4  _C10    42     1.48578   124.26432    -2.53767
   50    49 S   O    _O33    43     1.22490   122.31108   -39.13252
   51    49 S   CA   _C9_    44     1.48438   117.31833   143.64699
   52    51 S   CA   _C4_    45     1.40056   121.73010   -28.52383
   53    52 S   HA   _H5_    46     1.08663   121.58897     0.03956
   54    52 S   CA   _C5_    47     1.39675   120.04703  -178.71458
   55    54 S   HA   _H6_    48     1.08700   119.32096   179.77015
   56    54 S   CA   _C6_    49     1.39435   119.85158     0.22468
   57    56 S   Cl   Cl1_    50     1.72181   119.76799  -180.00000
   58    56 S   CA   _C7_    51     1.39414   120.46882     0.26020
   59    58 S   HA   _H7_    52     1.08681   120.86567   179.70459
   60    51 S   CA   _C8_    53     1.40077   118.53509   153.57160
   61    60 S   HA   _H8_    54     1.08736   120.92669    -1.42450
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  10   4   7   5   6   3   4   2   1   1   1
   8   3   9   8   4   6   3   5   3   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    40    41    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    40    41    44    45    46    47    48  
   38    39    42    40    41    44    47  
   36    37  
   37  
    0  
   39    42    43    49    50    51    40    41    44    47  
   42    43    49    40  
   41    44    45    46    47    48    42  
   44    45    46    47    48  
   43    49    50    51    52    60  
   49    50    51  
   45    46    47    48  
   46    47  
   47  
   48  
    0  
   50    51    52    53    54    58    60    61  
   51    52    60  
   52    53    54    55    56    58    59    60    61  
   53    54    55    56    57    58    60    61  
   54    55    56    60  
   55    56    57    58    59    60  
   56    57    58  
   57    58    59    60    61  
   58    59    60  
   59    60    61  
   60    61  
   61  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.105000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    49   320.000  1.462
   49    50   570.000  1.229
   49    51   310.000  1.470
   51    52   469.000  1.400
   51    60   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   300.000  1.725
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    47   320.000  1.410
   44    45   656.000  1.250
   44    46   656.000  1.250
   47    48   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    70.00000  109.69300
   33    40    47    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    49    65.00000  118.96000
   42    38    39    35.00000  120.00000
   42    49    50    80.00000  123.72100
   42    49    51    65.00000  117.02400
   49    42    43    40.00000  117.72500
   49    51    52    60.00000  119.52600
   49    51    60    60.00000  119.52600
   51    49    50    75.00000  123.78400
   51    52    53    35.00000  120.00000
   51    52    54    63.00000  120.00000
   51    60    58    63.00000  120.00000
   51    60    61    35.00000  120.00000
   52    54    55    35.00000  120.00000
   52    54    56    63.00000  120.00000
   54    52    53    35.00000  120.00000
   54    56    57    75.00000  120.00000
   54    56    58    63.00000  120.00000
   56    54    55    35.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    75.00000  120.00000
   58    60    61    35.00000  120.00000
   60    51    52    63.00000  120.00000
   60    58    59    35.00000  120.00000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    70.00000  117.00000
   40    44    46    70.00000  117.00000
   40    47    48    55.00000  108.50000
   44    40    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
   47    40    41    35.00000  109.50000
   47    40    44    95.00000  109.52300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    49   7.00000 -1.0 2.0
   33    40    44    45   0.41150 -1.0 2.0
   33    40    44    46   0.41150 -1.0 2.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44  -0.98800  1.0 1.0
   38    33    40    44   0.48800 -1.0 2.0
   38    33    40    44   0.76800  1.0 3.0
   38    33    40    47   1.05650  1.0 1.0
   38    33    40    47   0.15600 -1.0 2.0
   38    33    40    47   0.53150  1.0 3.0
   38    42    49    50   1.00000 -1.0 2.0
   38    42    49    51  -1.65800  1.0 1.0
   38    42    49    51   0.77650 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    49   7.00000 -1.0 2.0
   42    49    51    52  -0.11500  1.0 1.0
   42    49    51    52   1.10450 -1.0 2.0
   42    49    51    52  -0.48050  1.0 3.0
   42    49    51    60  -0.11500  1.0 1.0
   42    49    51    60   1.10450 -1.0 2.0
   42    49    51    60  -0.48050  1.0 3.0
   43    42    49    50   0.00000  1.0 1.0
   43    42    49    51   1.64500 -1.0 2.0
   49    51    52    53   3.62500 -1.0 2.0
   49    51    52    54   3.62500 -1.0 2.0
   49    51    60    58   3.62500 -1.0 2.0
   49    51    60    61   3.62500 -1.0 2.0
   50    49    51    52   1.05000 -1.0 2.0
   50    49    51    60   1.05000 -1.0 2.0
   51    52    54    55   3.62500 -1.0 2.0
   51    52    54    56   3.62500 -1.0 2.0
   52    51    60    58   3.62500 -1.0 2.0
   52    51    60    61   3.62500 -1.0 2.0
   52    54    56    57   3.62500 -1.0 2.0
   52    54   -56    58   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   54    56    58    59   3.62500 -1.0 2.0
   54    56    58    60   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   56    58   -60    51   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   59    58    60    51   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   60    51    52    53   3.62500 -1.0 2.0
   60    51   -52    54   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    47    48   0.19450  1.0 3.0
   44    40    47    48   0.91850  1.0 1.0
   44    40    47    48   0.57950  1.0 3.0
   47    40    44    45   0.30150 -1.0 2.0
   47    40    44    46   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   49    43    42    38  15.00000 -1.0 2.0
   42    51    49    50  10.50000 -1.0 2.0
   52    60    51    49   4.00000 -1.0 2.0
   54    53    52    51   1.10000 -1.0 2.0
   56    55    54    52   1.10000 -1.0 2.0
   58    57    56    54   4.00000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   58    61    60    51   1.10000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
