* LIGAND DATABASE FILE (OPLS2005)
*
001      61    60    106    156     311
    1     0 S   NP   _N1_     1    27.94550    96.08787   -23.17419
    2     1 S   H    _HN1     2     1.02778   104.92436  -116.17730
    3     1 S   H    _H1_     3     1.02957    81.19923    -9.43421
    4     1 S   H    _H2_     4     1.02836    28.97789   143.76033
    5     1 S   CT   _CA1     5     1.50144   134.01371   100.49294
    6     5 S   HC   _HA1     6     1.09575   105.19953    80.03254
    7     5 S   CO3  _C1_     7     1.53771   112.28614   -40.13487
    8     7 S   O2Z  _O11     8     1.26368   114.99168   -45.09967
    9     7 S   O2Z  _O12     9     1.26224   114.92082   133.83935
   10     5 S   CT   _CB1    10     1.53077   107.40390  -162.09017
   11    10 S   HC   HB11    11     1.09831   109.30702   -50.29395
   12    10 S   HC   HB12    12     1.09814   110.44679    66.24331
   13    10 S   CT   _CG1    13     1.53042   112.70603  -171.33338
   14    13 S   HC   HG11    14     1.09590   110.54619   -65.06472
   15    13 S   HC   HG12    15     1.09658   109.88626    54.16664
   16    13 S   C    _CD1    16     1.51853   112.18342   174.52568
   17    16 S   O    _OE1    17     1.22775   123.23548     3.04260
   18    16 S   N    _N2_    18     1.38553   111.83586  -176.97444
   19    18 S   H    _HN2    19     1.01574   119.17091     3.61108
   20    18 S   CT1  _CA2    20     1.45851   122.75451   177.81215
   21    20 S   HC   _HA2    21     1.09742   108.76960    26.58897
   22    20 S   C    _C2_    22     1.52947   107.02166   -90.35039
   23    22 S   O    _O2_    23     1.22981   123.07425   -27.72363
   24    20 S   CT   _CB2    32     1.53191   112.34689   149.69810
   25    24 S   HC   HB21    33     1.09497   110.01853    54.08208
   26    24 S   HC   HB22    34     1.09515   110.06111   173.08942
   27    22 S   N    _N3_    24     1.38512   112.56472   154.71298
   28    27 S   H    _HN3    25     1.01657   120.33336    -1.02355
   29    24 S   S    _SG2    35     1.82591   110.93920   -66.69210
   30    27 S   CT   _CA3    26     1.45358   122.47956   178.94538
   31    30 S   HC   HA31    27     1.09563   107.66679   -59.82084
   32    30 S   HC   HA32    28     1.09569   107.74126    56.50113
   33    29 S   CT   _C9_    36     1.85287    99.95125  -169.98080
   34    33 S   HC   _H3_    37     1.09154   103.75207    48.93824
   35    30 S   CO3  _C3_    29     1.52896   114.33983   178.47530
   36    35 S   O2Z  _O31    30     1.26338   116.05816     2.76570
   37    35 S   O2Z  _O32    31     1.26443   114.41906  -177.26005
   38    33 S   CM   _C8_    38     1.51572   107.20304   164.81657
   39    38 S   HC   _H12    39     1.09259   114.17635    54.40651
   40    33 S   CT   _C10    52     1.54272   112.37351   -68.32377
   41    40 S   HC   _H4_    53     1.09895   107.67613    60.91072
   42    38 S   CMA  _C7_    40     1.35656   130.07601  -124.01005
   43    42 S   OM   _O38    41     1.26558   127.25320   177.01889
   44    40 S   CO4  _C11    54     1.52450   109.57276   175.21022
   45    44 S   O    _O33    55     1.22552   124.91273   100.53050
   46    40 S   CO3  _C13    59     1.54322   121.13842   -57.77454
   47    46 S   O2Z  _O37    60     1.26057   117.08568   -17.99340
   48    46 S   O2Z  _O36    61     1.26750   114.24992   161.07064
   49    42 S   CT   _C5_    42     1.54704   120.85305    -3.14560
   50    49 S   HC   _H8_    43     1.09350   109.54097   -10.23529
   51    44 S   CO3  _C12    56     1.51221   120.73801   -79.09130
   52    51 S   O2Z  _O35    57     1.26752   116.47340   179.41050
   53    51 S   O2Z  _O34    58     1.26693   115.79145    -0.64468
   54    49 S   CT   _C4_    44     1.54035   114.19714  -126.26896
   55    54 S   HC   _H5_    45     1.09543   112.13964   -69.20972
   56    54 S   HC   _H6_    46     1.09584   110.26593   171.23841
   57    54 S   HC   _H7_    47     1.09559   110.93038    52.12813
   58    49 S   CT   _C6_    48     1.53623   112.19731   106.92437
   59    58 S   HC   _H9_    49     1.09544   111.91040    66.94601
   60    58 S   HC   _H10    50     1.09561   110.46298  -173.22335
   61    58 S   HC   _H11    51     1.09561   110.91259   -53.95498
  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
  14   7   2   1   1  11   4  10   6  11   4   7   4   3   1   1
   9   8   2   1   1   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    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    40    41    44    45    51    46    47    48  
   38    39    42    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    49    50    54    58    40    41    44    46  
   42    43    49    40  
   41    44    45    51    52    53    46    47    48    42  
   44    45    51    46    47    48  
   43    49    50    54    55    56    57    58    59    60    61  
   49    50    54    58  
   45    51    52    53    46    47    48  
   51    52    53    46  
   47    48    51  
   48  
    0  
   50    54    55    56    57    58    59    60    61  
   54    55    56    57    58    59    60    61  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   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  -0.716200   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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   465.000  1.376
   42    43   745.000  1.250
   42    49   270.000  1.512
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    58   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    46   317.000  1.522
   44    45   570.000  1.229
   44    51   250.000  1.524
   51    52   656.000  1.250
   51    53   656.000  1.250
   46    47   656.000  1.250
   46    48   656.000  1.250
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    63.00000  111.10000
   33    40    46    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    49    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    49    50    45.00000  110.52000
   42    49    54    70.00000  112.02700
   42    49    58    70.00000  112.02700
   49    42    43    85.00000  112.85300
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    61    37.50000  110.70000
   54    49    50    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    80.00000  120.40000
   40    44    51    65.00000  114.64000
   40    46    47    70.00000  117.00000
   40    46    48    70.00000  117.00000
   44    40    41    35.00000  109.50000
   44    51    52    85.00000  112.82000
   44    51    53    85.00000  112.82000
   51    44    45    80.00000  120.92000
   53    51    52    80.00000  126.00000
   46    40    41    35.00000  109.50000
   46    40    44    70.00000  107.85200
   48    46    47    80.00000  126.00000
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  -0.62250  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    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   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   0.30150 -1.0 2.0
   33    40    44    51   0.65300  1.0 1.0
   33    40    44    51  -0.03850 -1.0 2.0
   33    40    44    51   0.33900  1.0 3.0
   33    40    46    47   0.41150 -1.0 2.0
   33    40    46    48   0.41150 -1.0 2.0
   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    46  -0.11250  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    46  -0.98800  1.0 1.0
   38    33    40    46   0.48800 -1.0 2.0
   38    33    40    46   0.76800  1.0 3.0
   38    42    49    50   0.00000  1.0 1.0
   38    42    49    54   0.09850  1.0 1.0
   38    42    49    54   0.15250 -1.0 2.0
   38    42    49    54  -0.50650  1.0 3.0
   38    42    49    58   0.09850  1.0 1.0
   38    42    49    58   0.15250 -1.0 2.0
   38    42    49    58  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    49   7.00000 -1.0 2.0
   42    49    54    55   0.15000  1.0 3.0
   42    49    54    56   0.15000  1.0 3.0
   42    49    54    57   0.15000  1.0 3.0
   42    49    58    59   0.15000  1.0 3.0
   42    49    58    60   0.15000  1.0 3.0
   42    49    58    61   0.15000  1.0 3.0
   43    42    49    50   0.00000  1.0 1.0
   43    42    49    54   0.09700  1.0 1.0
   43    42    49    54   0.15600 -1.0 2.0
   43    42    49    54  -0.50800  1.0 3.0
   43    42    49    58   0.09700  1.0 1.0
   43    42    49    58   0.15600 -1.0 2.0
   43    42    49    58  -0.50800  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    57   0.15000  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    61   0.15000  1.0 3.0
   54    49    58    59   0.15000  1.0 3.0
   54    49    58    60   0.15000  1.0 3.0
   54    49    58    61   0.15000  1.0 3.0
   58    49    54    55   0.15000  1.0 3.0
   58    49    54    56   0.15000  1.0 3.0
   58    49    54    57   0.15000  1.0 3.0
   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
   40    44    51    52   0.49600 -1.0 2.0
   40    44    51    53   0.49600 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    51   0.00000  1.0 1.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    48   0.00000  1.0 1.0
   44    40    46    47   0.30150 -1.0 2.0
   44    40    46    48   0.30150 -1.0 2.0
   45    44    51    52   0.06100 -1.0 2.0
   45    44    51    53   0.06100 -1.0 2.0
   46    40    44    45   0.30150 -1.0 2.0
   46    40    44    51   0.65300  1.0 1.0
   46    40    44    51  -0.03850 -1.0 2.0
   46    40    44    51   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    39    38    42  15.00000 -1.0 2.0
   49    43    42    38  15.00000 -1.0 2.0
   40    51    44    45  10.50000 -1.0 2.0
   52    44    51    53  10.50000 -1.0 2.0
   47    40    46    48  10.50000 -1.0 2.0
END
