* LIGAND DATABASE FILE (OPLS2005)
*
001      61    62    110    170     322
    1     0 S   NP   _N1_     1    28.90894    95.79460   -22.91538
    2     1 S   H    _HN1     2     1.02801   105.01462  -105.57937
    3     1 S   H    _H1_     3     1.02941    76.18566    -0.00000
    4     1 S   H    _H2_     4     1.02832    34.22965   154.67907
    5     1 S   CT   _CA1     5     1.50139   137.00474   105.41160
    6     5 S   HC   _HA1     6     1.09589   105.14546    86.77297
    7     5 S   CO3  _C1_     7     1.53802   112.00528   -33.17866
    8     7 S   O2Z  _O11     8     1.26362   115.10394   -53.82600
    9     7 S   O2Z  _O12     9     1.26231   114.88157   124.75976
   10     5 S   CT   _CB1    10     1.53054   107.30445  -155.65983
   11    10 S   HC   HB11    11     1.09846   109.35859   -50.49061
   12    10 S   HC   HB12    12     1.09803   110.55593    66.08482
   13    10 S   CT   _CG1    13     1.52997   112.54375  -171.38195
   14    13 S   HC   HG11    14     1.09496   110.54498   -66.56946
   15    13 S   HC   HG12    15     1.09652   109.78286    52.66524
   16    13 S   C    _CD1    16     1.51811   111.84788   173.38396
   17    16 S   O    _OE1    17     1.22787   123.06873    14.34189
   18    16 S   N    _N2_    18     1.38633   112.05490  -165.89332
   19    18 S   H    _HN2    19     1.01635   118.99603     0.63366
   20    18 S   CT1  _CA2    20     1.46345   123.28953   177.76270
   21    20 S   HC   _HA2    21     1.09739   109.17431     8.66300
   22    20 S   C    _C2_    22     1.53615   109.26843  -107.03881
   23    22 S   O    _O2_    23     1.23097   122.11092  -150.19509
   24    20 S   CT   _CB2    32     1.53421   111.49017   130.40220
   25    24 S   HC   HB21    33     1.09227   109.44982    61.62217
   26    24 S   HC   HB22    34     1.09538   110.41232   179.26858
   27    22 S   N    _N3_    24     1.38276   113.97431    37.32957
   28    27 S   H    _HN3    25     1.01541   119.62537    -3.47249
   29    24 S   S    _SG2    35     1.82878   110.88067   -61.95481
   30    27 S   CT   _CA3    26     1.45281   123.27087   177.11934
   31    30 S   HC   HA31    27     1.09548   107.53881   -64.06291
   32    30 S   HC   HA32    28     1.09556   107.95960    52.38167
   33    29 S   CT   _C13    36     1.88296   102.30255   143.26858
   34    30 S   CO3  _C3_    29     1.52974   114.06179   174.37002
   35    34 S   O2Z  _O31    30     1.26380   116.08956    -0.11535
   36    34 S   O2Z  _O32    31     1.26429   114.41386   179.92867
   37    33 S   CO4  _C14    37     1.53608   103.25913   174.87096
   38    37 S   O    _O34    38     1.23019   121.95961   -96.35363
   39    33 S   CT   _C15    58     1.54230   107.67956    58.56386
   40    39 S   HC   _H9_    59     1.09508   112.00048   -72.39303
   41    39 S   HC   _H10    60     1.09666   111.24297   167.64648
   42    39 S   HC   _H11    61     1.09690   111.94258    49.12252
   43    37 S   CA   _C9_    39     1.49628   118.39600    80.83941
   44    43 S   CA   _C10    40     1.41180   120.77492    11.24385
   45    44 S   CA   _C5_    41     1.41672   119.91584  -178.74243
   46    44 S   CO4  _C11    53     1.50178   119.24371     2.05033
   47    46 S   O    _O33    54     1.22988   121.22544  -164.38015
   48    45 S   CA   _C6_    42     1.40456   119.04486     0.59742
   49    48 S   HA   _H7_    43     1.08798   120.40185   179.60783
   50    45 S   CT   _C4_    49     1.50535   123.77036  -179.27909
   51    50 S   HC   _H4_    50     1.09351   110.27802   -67.22435
   52    50 S   HC   _H5_    51     1.09448   110.68020    55.22175
   53    50 S   HC   _H6_    52     1.09577   111.64965   173.81899
   54    33 S   CT   _C12    55     1.55196   112.21396   -65.93906
   55    54 S   OM   _O35    56     1.32515   111.74808  -177.19760
   56    54 S   HC   _H3_    57     1.09722   107.22035    51.66873
   57    48 S   CA   _C7_    44     1.38998   121.04371    -0.76566
   58    57 S   HA   _H8_    45     1.08670   119.66759  -179.74207
   59    43 S   CA   _C8_    46     1.40559   119.89014  -167.49692
   60    59 S   OH   _O36    47     1.36999   123.84892    -1.06128
   61    60 S   HO   _H12    48     0.97369   108.83493    -2.58020
  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  12   5   4   3
  14   2   1   1  15   5   8   3   2   1  12  15  12   7   3   9
   4   4   2   1   1   2   1   1   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    46    54    55    56    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    59    46    47    54    55    56    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    57    59    60    46    54    55    56    39    40    41    42  
   43    44    59    54    39  
   40    41    42    43    46    54    55    56  
   41    42    54  
   42    54  
   54  
   44    45    48    57    58    59    60    61    50    46    47    54  
   45    48    49    57    59    60    50    51    52    53    46    47    54    55    56  
   48    49    57    58    59    50    51    52    53    46    47    54  
   47    54    55    56    48    50    59  
   54    55    56  
   49    57    58    59    60    50    51    52    53  
   57    58    59    50  
   51    52    53    57  
   52    53  
   53  
    0  
   55    56  
   56  
    0  
   58    59    60    61  
   59    60  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    54   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    43   310.000  1.470
   43    44   469.000  1.400
   43    59   469.000  1.400
   44    45   469.000  1.400
   44    46   310.000  1.470
   45    48   469.000  1.400
   45    50   317.000  1.510
   48    49   367.000  1.080
   48    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   450.000  1.364
   60    61   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   46    47   570.000  1.229
   46    54   317.000  1.522
   54    55   570.000  1.307
   54    56   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    54    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.47100
   33    54    46    63.00000  111.10000
   33    54    55    50.00000  109.50000
   33    54    56    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    60.00000  119.52600
   37    43    59    60.00000  119.52600
   43    37    38    75.00000  123.78400
   43    44    45    63.00000  120.00000
   43    44    46    60.00000  119.52600
   43    59    57    63.00000  120.00000
   43    59    60    70.00000  120.00000
   44    45    48    63.00000  120.00000
   44    45    50    70.00000  120.00000
   44    46    47    75.00000  123.78400
   44    46    54    65.00000  115.47100
   45    48    49    35.00000  120.00000
   45    48    57    63.00000  120.00000
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    53    35.00000  109.50000
   48    57    58    35.00000  120.00000
   48    57    59    63.00000  120.00000
   57    48    49    35.00000  120.00000
   57    59    60    70.00000  120.00000
   59    43    44    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    60    61    35.00000  113.00000
   50    45    48    70.00000  120.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   46    44    45    60.00000  119.52600
   46    54    55    90.00000  108.74100
   46    54    56    35.00000  109.50000
   54    33    37    63.00000  111.10000
   54    46    47    80.00000  120.40000
   56    54    55    45.00000  125.66300
   39    33    37    63.00000  111.10000
   39    33    54    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    54    46   0.56750  1.0 1.0
   29    33    54    46  -0.07550 -1.0 2.0
   29    33    54    46   0.20000  1.0 3.0
   29    33    54    55   0.56750  1.0 1.0
   29    33    54    55  -0.07550 -1.0 2.0
   29    33    54    55   0.20000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   2.26350  1.0 1.0
   33    37    43    44   0.76750 -1.0 2.0
   33    37    43    44   0.22500  1.0 3.0
   33    37    43    59   2.26350  1.0 1.0
   33    37    43    59   0.76750 -1.0 2.0
   33    37    43    59   0.22500  1.0 3.0
   37    33    54    46   0.11950  1.0 1.0
   37    33    54    46   0.20300 -1.0 2.0
   37    33    54    46  -0.70800  1.0 3.0
   37    33    54    55  -0.09450  1.0 1.0
   37    33    54    55  -1.12950 -1.0 2.0
   37    33    54    55   0.54000  1.0 3.0
   37    33    54    56  -0.11250  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    43    44    45   3.62500 -1.0 2.0
   37    43   -44    46   3.62500 -1.0 2.0
   37    43    59    57   3.62500 -1.0 2.0
   37    43    59    60   3.62500 -1.0 2.0
   38    37    43    44   1.05000 -1.0 2.0
   38    37    43    59   1.05000 -1.0 2.0
   43    44    45    48   3.62500 -1.0 2.0
   43    44    45    50   3.62500 -1.0 2.0
   43    44    46    47   1.05000 -1.0 2.0
   43    44    46    54   2.26350  1.0 1.0
   43    44    46    54   0.76750 -1.0 2.0
   43    44    46    54   0.22500  1.0 3.0
   43    59    60    61   0.84100 -1.0 2.0
   44    43    59    57   3.62500 -1.0 2.0
   44    43    59    60   3.62500 -1.0 2.0
   44    45    48    49   3.62500 -1.0 2.0
   44    45   -48    57   3.62500 -1.0 2.0
   44    45    50    51   0.00000  1.0 1.0
   44    45    50    52   0.00000  1.0 1.0
   44    45    50    53   0.00000  1.0 1.0
   44    46   -54    33   0.05850 -1.0 2.0
   44    46   -54    33   0.17250  1.0 3.0
   44    46    54    55   0.65300  1.0 1.0
   44    46    54    55  -0.03850 -1.0 2.0
   44    46    54    55   0.33900  1.0 3.0
   44    46    54    56   0.00000  1.0 1.0
   45    44    46    47   1.05000 -1.0 2.0
   45    44    46    54   2.26350  1.0 1.0
   45    44    46    54   0.76750 -1.0 2.0
   45    44    46    54   0.22500  1.0 3.0
   45    48    57    58   3.62500 -1.0 2.0
   45    48    57    59   3.62500 -1.0 2.0
   48    45    50    51   0.00000  1.0 1.0
   48    45    50    52   0.00000  1.0 1.0
   48    45    50    53   0.00000  1.0 1.0
   48    57   -59    43   3.62500 -1.0 2.0
   48    57    59    60   3.62500 -1.0 2.0
   49    48    57    58   3.62500 -1.0 2.0
   49    48    57    59   3.62500 -1.0 2.0
   57    59    60    61   0.84100 -1.0 2.0
   58    57    59    43   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   59    43   -44    45   3.62500 -1.0 2.0
   59    43    44    46   3.62500 -1.0 2.0
   50    45    48    49   3.62500 -1.0 2.0
   50    45    48    57   3.62500 -1.0 2.0
   46    44    45    48   3.62500 -1.0 2.0
   46    44    45    50   3.62500 -1.0 2.0
   47    46    54    33   0.30150 -1.0 2.0
   47    46    54    55   0.30150 -1.0 2.0
   47    46    54    56   0.00000  1.0 1.0
   54    33    37    38   0.30150 -1.0 2.0
   54    33   -37    43   0.05850 -1.0 2.0
   54    33   -37    43   0.17250  1.0 3.0
   54    33    39    40   0.15000  1.0 3.0
   54    33    39    41   0.15000  1.0 3.0
   54    33    39    42   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    43   0.05850 -1.0 2.0
   39    33    37    43   0.17250  1.0 3.0
   39    33    54    46  -0.95700  1.0 1.0
   39    33    54    46  -0.18200 -1.0 2.0
   39    33    54    46   0.29450  1.0 3.0
   39    33    54    55   0.62750  1.0 1.0
   39    33    54    55  -0.30950 -1.0 2.0
   39    33    54    55   0.27300  1.0 3.0
   39    33    54    56   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   44    59    43    37   4.00000 -1.0 2.0
   45    46    44    43   4.00000 -1.0 2.0
   48    50    45    44   4.00000 -1.0 2.0
   57    49    48    45   1.10000 -1.0 2.0
   59    58    57    48   1.10000 -1.0 2.0
   57    60    59    43   4.00000 -1.0 2.0
   44    54    46    47  10.50000 -1.0 2.0
END
