* LIGAND DATABASE FILE (OPLS2005)
*
001      55    56     98    155     289
    1     0 S   NP   _N1_     1    28.05021    96.93738   -22.54733
    2     1 S   H    _HN1     2     1.02777   104.76978  -111.28244
    3     1 S   H    _H1_     3     1.02957    73.72221    -6.09580
    4     1 S   H    _H2_     4     1.02836    36.69794   148.47161
    5     1 S   CT   _CA1     5     1.50149   138.31705    96.48594
    6     5 S   HC   _HA1     6     1.09577   105.18604    89.43506
    7     5 S   CO3  _C1_     7     1.53767   112.32516   -30.70038
    8     7 S   O2Z  _O11     8     1.26369   114.98721   -44.15359
    9     7 S   O2Z  _O12     9     1.26230   114.92219   134.79304
   10     5 S   CT   _CB1    10     1.53083   107.40544  -152.69641
   11    10 S   HC   HB11    11     1.09831   109.26841   -50.37394
   12    10 S   HC   HB12    12     1.09814   110.45694    66.15603
   13    10 S   CT   _CG1    13     1.53045   112.71859  -171.42838
   14    13 S   HC   HG11    14     1.09589   110.53671   -65.73470
   15    13 S   HC   HG12    15     1.09661   109.87561    53.48620
   16    13 S   C    _CD1    16     1.51860   112.21901   173.81160
   17    16 S   O    _OE1    17     1.22771   123.24801     3.13188
   18    16 S   N    _N2_    18     1.38575   111.82632  -176.83393
   19    18 S   H    _HN2    19     1.01564   119.09789     3.64320
   20    18 S   CT1  _CA2    20     1.45827   122.74017   177.21329
   21    20 S   HC   _HA2    21     1.09733   108.85044    25.98944
   22    20 S   C    _C2_    22     1.52950   106.94510   -91.02330
   23    22 S   O    _O2_    23     1.22982   123.04332   -27.66192
   24    20 S   CT   _CB2    32     1.53182   112.41325   149.20706
   25    24 S   HC   HB21    33     1.09589   110.28785    54.34602
   26    24 S   HC   HB22    34     1.09440   109.86961   173.30259
   27    22 S   N    _N3_    24     1.38500   112.58811   155.01911
   28    27 S   H    _HN3    25     1.01658   120.36924    -1.80927
   29    24 S   S    _SG2    35     1.82545   111.16943   -66.44192
   30    27 S   CT   _CA3    26     1.45361   122.45285   178.71854
   31    30 S   HC   HA31    27     1.09565   107.75541   -57.25599
   32    30 S   HC   HA32    28     1.09565   107.65635    59.07072
   33    29 S   CT   _C12    36     1.85371    99.57341   175.44082
   34    33 S   HC   _H4_    37     1.09873   107.90613   -42.53775
   35    30 S   CO3  _C3_    29     1.52884   114.33952  -179.08635
   36    35 S   O2Z  _O31    30     1.26336   116.04955     1.06606
   37    35 S   O2Z  _O32    31     1.26438   114.41536  -178.97321
   38    33 S   CO4  _C13    38     1.51750   107.24454    73.35166
   39    38 S   O    _O34    39     1.22834   121.85605   -96.30157
   40    38 S   CA   _C8_    40     1.48699   117.59350    81.51313
   41    40 S   CA   _C9_    41     1.39575   120.00055    13.64170
   42    41 S   CA   _C4_    42     1.40910   119.96950  -177.55944
   43    42 S   HA   _H5_    43     1.09198   118.77391  -179.88986
   44    41 S   CO4  _C10    51     1.49091   121.12363     4.05656
   45    44 S   O    _O33    52     1.22875   119.11135  -172.10952
   46    42 S   CA   _C5_    44     1.41287   123.30893    -0.51964
   47    46 S   OM   _O37    45     1.27669   122.76131  -179.88297
   48    33 S   CT   _C11    53     1.54907   116.26572  -164.82803
   49    48 S   OM   _O35    54     1.32085   109.57362    58.50564
   50    48 S   HC   _H3_    55     1.10314   106.16093  -173.23297
   51    46 S   CA   _C6_    46     1.41034   114.53644    -0.07662
   52    51 S   HA   _H6_    47     1.09177   118.89274  -179.91153
   53    40 S   CA   _C7_    48     1.39556   121.47441  -164.71447
   54    53 S   OH   _O36    49     1.36958   123.47967    -1.56598
   55    54 S   HO   _H7_    50     0.97362   108.83086    -1.87252
  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
  11   7   2   1   1  11   4  12  12   9   4   6   3   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    53    44    45    48    49    50  
   38    39    40    44    48    49    50  
   36    37  
   37  
    0  
   39    40    41    42    51    53    54    44    48    49    50  
   40    41    53    48  
   41    42    43    46    51    52    53    54    55    44    45    48  
   42    43    46    47    51    53    54    44    45    48    49    50  
   43    46    47    51    52    53    44    45    48  
   46    47    51    44  
   45    48    49    50    46    53  
   48    49    50  
   47    51    52    53    54  
   51    52    53  
   49    50  
   50  
    0  
   52    53    54    55  
   53    54  
   54    55  
   55  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   48   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    48   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    53   469.000  1.400
   41    42   469.000  1.400
   41    44   310.000  1.470
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   450.000  1.364
   46    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   450.000  1.364
   54    55   553.000  0.945
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   570.000  1.307
   48    50   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  110.18000
   29    33    48    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    48    44    63.00000  111.10000
   33    48    49    50.00000  109.50000
   33    48    50    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    53    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    44    60.00000  119.52600
   40    53    51    63.00000  120.00000
   40    53    54    70.00000  120.00000
   41    42    43    35.00000  120.00000
   41    42    46    63.00000  120.00000
   41    44    45    75.00000  123.78400
   41    44    48    65.00000  115.47100
   42    46    47    70.00000  120.00000
   42    46    51    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    51    52    35.00000  120.00000
   46    51    53    63.00000  120.00000
   51    46    47    70.00000  120.00000
   51    53    54    70.00000  120.00000
   53    40    41    63.00000  120.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  113.00000
   44    41    42    60.00000  119.52600
   44    48    49    90.00000  108.74100
   44    48    50    35.00000  109.50000
   48    33    34    37.50000  110.70000
   48    33    38    63.00000  111.10000
   48    44    45    80.00000  120.40000
   50    48    49    45.00000  125.66300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.56750  1.0 1.0
   29    33    48    49  -0.07550 -1.0 2.0
   29    33    48    49   0.20000  1.0 3.0
   29    33    48    50   0.15000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    53   2.26350  1.0 1.0
   33    38    40    53   0.76750 -1.0 2.0
   33    38    40    53   0.22500  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    44  -0.11250  1.0 3.0
   34    33    48    49   0.23400  1.0 3.0
   34    33    48    50   0.15000  1.0 3.0
   38    33    48    44   0.11950  1.0 1.0
   38    33    48    44   0.20300 -1.0 2.0
   38    33    48    44  -0.70800  1.0 3.0
   38    33    48    49  -0.09450  1.0 1.0
   38    33    48    49  -1.12950 -1.0 2.0
   38    33    48    49   0.54000  1.0 3.0
   38    33    48    50  -0.11250  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    44   3.62500 -1.0 2.0
   38    40    53    51   3.62500 -1.0 2.0
   38    40    53    54   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    53   1.05000 -1.0 2.0
   40    41    42    43   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    44    45   1.05000 -1.0 2.0
   40    41    44    48   2.26350  1.0 1.0
   40    41    44    48   0.76750 -1.0 2.0
   40    41    44    48   0.22500  1.0 3.0
   40    53    54    55   0.84100 -1.0 2.0
   41    40    53    51   3.62500 -1.0 2.0
   41    40    53    54   3.62500 -1.0 2.0
   41    42    46    47   3.62500 -1.0 2.0
   41    42   -46    51   3.62500 -1.0 2.0
   41    44   -48    33   0.05850 -1.0 2.0
   41    44   -48    33   0.17250  1.0 3.0
   41    44    48    49   0.65300  1.0 1.0
   41    44    48    49  -0.03850 -1.0 2.0
   41    44    48    49   0.33900  1.0 3.0
   41    44    48    50   0.00000  1.0 1.0
   42    41    44    45   1.05000 -1.0 2.0
   42    41    44    48   2.26350  1.0 1.0
   42    41    44    48   0.76750 -1.0 2.0
   42    41    44    48   0.22500  1.0 3.0
   42    46    51    52   3.62500 -1.0 2.0
   42    46    51    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    51   3.62500 -1.0 2.0
   46    51   -53    40   3.62500 -1.0 2.0
   46    51    53    54   3.62500 -1.0 2.0
   47    46    51    52   3.62500 -1.0 2.0
   47    46    51    53   3.62500 -1.0 2.0
   51    53    54    55   0.84100 -1.0 2.0
   52    51    53    40   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   53    40   -41    42   3.62500 -1.0 2.0
   53    40    41    44   3.62500 -1.0 2.0
   44    41    42    43   3.62500 -1.0 2.0
   44    41    42    46   3.62500 -1.0 2.0
   45    44    48    33   0.30150 -1.0 2.0
   45    44    48    49   0.30150 -1.0 2.0
   45    44    48    50   0.00000  1.0 1.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.05850 -1.0 2.0
   48    33   -38    40   0.17250  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    53    40    38   4.00000 -1.0 2.0
   42    44    41    40   4.00000 -1.0 2.0
   46    43    42    41   1.10000 -1.0 2.0
   51    47    46    42   4.00000 -1.0 2.0
   53    52    51    46   1.10000 -1.0 2.0
   51    54    53    40   4.00000 -1.0 2.0
   41    48    44    45  10.50000 -1.0 2.0
END
