* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    110    165     322
    1     0 S   NP   _N1_     1    28.65667    94.89386   -21.31664
    2     1 S   H    _HN1     2     1.02966    91.33115    10.05774
    3     1 S   H    _H1_     3     1.02850    33.64400   129.25240
    4     1 S   H    _H2_     4     1.02789    85.43330   -98.26242
    5     1 S   CT   _CA1     5     1.50111   144.07278   139.00436
    6     5 S   HC   _HA1     6     1.09526   105.35749    53.74048
    7     5 S   CO3  _C1_     7     1.54062   112.67954   -66.98726
    8     7 S   O2Z  _O11     8     1.26324   115.20476   -29.80129
    9     7 S   O2Z  _O12     9     1.26353   115.38743   150.54353
   10     5 S   CT   _CB1    10     1.53263   107.58442   172.65751
   11    10 S   HC   HB11    11     1.09810   110.35875   -39.96648
   12    10 S   HC   HB12    12     1.09834   109.78193    76.74714
   13    10 S   CT   _CG1    13     1.53105   112.59740  -160.76022
   14    13 S   HC   HG11    14     1.09429   110.75189   -48.15740
   15    13 S   HC   HG12    15     1.09609   110.07384    70.87463
   16    13 S   C    _CD1    16     1.51708   112.30529  -168.29092
   17    16 S   O    _OE1    17     1.22680   123.25533   -12.53591
   18    16 S   N    _N2_    18     1.38619   111.48505   167.01508
   19    18 S   H    _HN2    19     1.01561   119.15571     5.77608
   20    18 S   CT1  _CA2    20     1.46199   123.38414  -173.01559
   21    20 S   HC   _HA2    21     1.09719   109.50024    -9.59282
   22    20 S   C    _C2_    22     1.53283   108.36698  -125.68513
   23    22 S   O    _O2_    23     1.22998   122.27678  -143.25784
   24    20 S   CT   _CB2    32     1.53490   110.92719   112.15359
   25    24 S   HC   HB21    33     1.09617   109.85446    57.26927
   26    24 S   HC   HB22    34     1.09516   110.53490   176.33136
   27    22 S   N    _N3_    24     1.38517   113.30190    43.84490
   28    27 S   H    _HN3    25     1.01522   118.97352    -0.10468
   29    24 S   S    _SG2    35     1.82695   111.76816   -63.49471
   30    27 S   CT   _CA3    26     1.45451   123.33758   175.24832
   31    30 S   HC   HA31    27     1.09529   109.13579    26.28983
   32    30 S   HC   HA32    28     1.09492   107.14238   143.28236
   33    29 S   CT   _C12    36     1.82857    98.84949   168.32268
   34    33 S   HC   _H3_    37     1.09477   108.89984    54.47999
   35    33 S   HC   _H4_    38     1.09435   106.84067   -61.82630
   36    30 S   CO3  _C3_    29     1.52937   113.20183   -97.11413
   37    36 S   O2Z  _O31    30     1.26395   115.44117   -43.50361
   38    36 S   O2Z  _O32    31     1.26361   114.95638   137.44209
   39    33 S   CT   _C13    39     1.53324   112.61815   177.61969
   40    39 S   HC   _H25    40     1.09865   108.17887   174.54957
   41    39 S   CO3  _C9_    41     1.54548   115.27017   -69.05399
   42    41 S   O2Z  _O13    42     1.26390   115.82857   -21.96729
   43    41 S   O2Z  _O15    43     1.26485   115.38556   160.15645
   44    39 S   OS   _O16    44     1.43728   111.16220    54.55761
   45    44 S   CT   _C11    45     1.43352   115.04749    82.40730
   46    45 S   HC   _H22    46     1.09783   110.16977   -28.50833
   47    45 S   CM   _C6_    47     1.50993   109.38709    89.42497
   48    47 S   HC   _H20    48     1.08688   117.24432   -43.78663
   49    47 S   CM   _C7_    49     1.34304   122.48049   137.98573
   50    49 S   CM   _C4_    50     1.44442   121.04735    -0.53959
   51    50 S   HC   _H18    51     1.08558   119.04943   170.45120
   52    49 S   CO3  _C8_    60     1.54214   121.10669   178.22381
   53    52 S   O2Z  _O33    61     1.26577   115.75071   -25.73938
   54    52 S   O2Z  _O14    62     1.26565   115.78445   154.47157
   55    50 S   CM   _C5_    52     1.34029   121.26925   -10.50970
   56    55 S   HC   _H19    53     1.08650   119.31204  -177.81269
   57    45 S   CT   _C10    54     1.55394   106.77056  -147.94495
   58    57 S   HC   _H21    55     1.09721   110.41573   -24.87641
   59    57 S   NP   _N11    56     1.49710   107.50706    88.08005
   60    59 S   H    _H26    57     1.02884   110.92515   -58.14873
   61    59 S   H    _H27    58     1.03310   111.04826  -177.41752
   62    59 S   H    _H28    59     1.02763   111.91352    62.82941
  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   7   5   4   3
   9   5   4   2   1   1   9   5   4   2   1   9  14   7  11   4
   8   9   4   3   1   1   7   3   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    57  
   41    42    43    44    45  
   42    43    44    45  
   43    44  
   44  
   45    46    47    48    49    55    57    58    59  
   46    47    48    49    50    55    56    57    58    59    60    61    62    52  
   47    48    49    55    57    58    59  
   48    49    50    51    55    57    58    59    52    53    54  
   49    50    57    52  
   50    51    55    56    57    52    53    54  
   51    55    56    57    58    59    52    53    54  
   55    56    57    52  
   53    54    55  
   54  
    0  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59    60    61    62  
   59    60    61    62  
   60    61    62  
   61    62  
   62  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.463400   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.025600   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   60   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.330000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    44   320.000  1.410
   41    42   656.000  1.250
   41    43   656.000  1.250
   44    45   320.000  1.410
   45    46   340.000  1.090
   45    47   317.000  1.510
   45    57   268.000  1.529
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   380.000  1.444
   49    52   230.000  1.545
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    56   340.000  1.080
   55    57   317.000  1.510
   57    58   340.000  1.090
   57    59   367.000  1.471
   59    60   434.000  1.010
   59    61   434.000  1.010
   59    62   434.000  1.010
   52    53   656.000  1.250
   52    54   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  109.69300
   33    39    44    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    70.00000  117.00000
   39    41    43    70.00000  117.00000
   39    44    45    60.00000  109.50000
   41    39    40    35.00000  109.50000
   43    41    42    80.00000  126.00000
   44    39    40    35.00000  109.50000
   44    39    41    85.00000  109.63000
   44    45    46    35.00000  109.50000
   44    45    47    85.00000  110.90400
   44    45    57    50.00000  109.50000
   45    47    48    35.00000  117.00000
   45    47    49    70.00000  124.00000
   45    57    55    70.00000  112.02700
   45    57    58    37.50000  110.70000
   45    57    59    80.00000  111.20000
   47    45    46    35.00000  109.50000
   47    49    50    70.00000  123.01800
   47    49    52    55.00000  124.75400
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  120.00000
   49    50    55    70.00000  123.01800
   49    52    53    85.00000  113.83300
   49    52    54    85.00000  113.83300
   50    55    56    35.00000  120.00000
   50    55    57    70.00000  124.00000
   55    50    51    35.00000  120.00000
   55    57    58    35.00000  109.50000
   55    57    59    75.00000  110.06800
   57    45    46    37.50000  110.70000
   57    45    47    70.00000  112.02700
   57    55    56    35.00000  117.00000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    35.00000  109.50000
   59    57    58    35.00000  109.50000
   61    59    60    35.00000  109.50000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   52    49    50    55.00000  124.75400
   54    52    53    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.41150 -1.0 2.0
   33    39    41    43   0.41150 -1.0 2.0
   33    39    44    45   0.06250  1.0 1.0
   33    39    44    45  -0.01100 -1.0 2.0
   33    39    44    45   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    44   0.23400  1.0 3.0
   39    44    45    46   0.37050  1.0 3.0
   39    44    45    47  -0.77900  1.0 1.0
   39    44    45    47  -0.36900 -1.0 2.0
   39    44    45    47   0.40400  1.0 3.0
   39    44    45    57   0.06250  1.0 1.0
   39    44    45    57  -0.01100 -1.0 2.0
   39    44    45    57   0.28050  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    44    45   0.37050  1.0 3.0
   41    39    44    45  -1.11000  1.0 1.0
   41    39    44    45   0.50250 -1.0 2.0
   41    39    44    45   0.47450  1.0 3.0
   44    39    41    42   0.30150 -1.0 2.0
   44    39    41    43   0.30150 -1.0 2.0
   44    45    47    48   0.00000  1.0 1.0
   44    45    47    49   0.39000  1.0 1.0
   44    45    47    49  -0.05800 -1.0 2.0
   44    45    47    49  -0.55150  1.0 3.0
   44    45    57    55   0.61850  1.0 1.0
   44    45    57    55  -0.22750 -1.0 2.0
   44    45    57    55   0.15300  1.0 3.0
   44    45    57    58   0.23400  1.0 3.0
   44    45    57    59   1.69300  1.0 1.0
   44    45    57    59  -0.48450 -1.0 2.0
   45    47    49    50   7.00000 -1.0 2.0
   45    47    49    52   7.00000 -1.0 2.0
   45    57    59    60   0.17350  1.0 3.0
   45    57    59    61   0.17350  1.0 3.0
   45    57    59    62   0.17350  1.0 3.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    57    55   0.15000  1.0 3.0
   46    45    57    58   0.15000  1.0 3.0
   46    45    57    59   0.19200  1.0 3.0
   47    45    57    55   0.31000  1.0 1.0
   47    45    57    55   0.14700 -1.0 2.0
   47    45    57    55   0.07550  1.0 3.0
   47    45    57    58   0.15000  1.0 3.0
   47    45    57    59  -0.47300  1.0 1.0
   47    45    57    59   0.29700 -1.0 2.0
   47    45    57    59   0.83300  1.0 3.0
   47    49    50    51  -0.18600  1.0 3.0
   47    49   -50    55   0.28850  1.0 1.0
   47    49   -50    55   2.61350 -1.0 2.0
   47    49   -50    55   0.78400  1.0 3.0
   47    49    52    53  -0.04000 -1.0 2.0
   47    49    52    53  -0.29050  1.0 3.0
   47    49    52    54  -0.04000 -1.0 2.0
   47    49    52    54  -0.29050  1.0 3.0
   48    47    49    50   7.00000 -1.0 2.0
   48    47    49    52   7.00000 -1.0 2.0
   49    50    55    56   7.00000 -1.0 2.0
   49    50    55    57   7.00000 -1.0 2.0
   50    49    52    53  -0.04000 -1.0 2.0
   50    49    52    53  -0.29050  1.0 3.0
   50    49    52    54  -0.04000 -1.0 2.0
   50    49    52    54  -0.29050  1.0 3.0
   50    55   -57    45   0.09850  1.0 1.0
   50    55   -57    45   0.15250 -1.0 2.0
   50    55   -57    45  -0.50650  1.0 3.0
   50    55    57    58   0.00000  1.0 1.0
   50    55    57    59   0.80850  1.0 1.0
   50    55    57    59  -0.47300 -1.0 2.0
   50    55    57    59  -0.52300  1.0 3.0
   51    50    55    56   7.00000 -1.0 2.0
   51    50    55    57   7.00000 -1.0 2.0
   55    57    59    60   0.17350  1.0 3.0
   55    57    59    61   0.17350  1.0 3.0
   55    57    59    62   0.17350  1.0 3.0
   56    55    57    45   0.00000  1.0 1.0
   56    55    57    58   0.33100  1.0 3.0
   56    55    57    59   0.00000  1.0 1.0
   57    45    47    48   0.00000  1.0 1.0
   57    45   -47    49   0.09850  1.0 1.0
   57    45   -47    49   0.15250 -1.0 2.0
   57    45   -47    49  -0.50650  1.0 3.0
   58    57    59    60   0.13050  1.0 3.0
   58    57    59    61   0.13050  1.0 3.0
   58    57    59    62   0.13050  1.0 3.0
   52    49    50    51   0.00000  1.0 1.0
   52    49    50    55  -0.18600  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   42    39    41    43  10.50000 -1.0 2.0
   45    48    47    49   1.10000 -1.0 2.0
   50    52    49    47   1.10000 -1.0 2.0
   49    51    50    55   1.10000 -1.0 2.0
   57    56    55    50   1.10000 -1.0 2.0
   53    49    52    54  10.50000 -1.0 2.0
END
