* LIGAND DATABASE FILE (OPLS2005)
*
001      65    65    112    165     326
    1     0 S   NP   _N1_     1    28.12036    96.58262   -22.33881
    2     1 S   H    _HN1     2     1.02777   101.76444  -112.10483
    3     1 S   H    _H1_     3     1.02958    75.86705    -5.90531
    4     1 S   H    _H2_     4     1.02837    35.96974   143.57715
    5     1 S   CT   _CA1     5     1.50134   140.24489    99.11122
    6     5 S   HC   _HA1     6     1.09576   105.20870    85.24547
    7     5 S   CO3  _C1_     7     1.53780   112.39193   -34.93084
    8     7 S   O2Z  _O11     8     1.26364   114.99421   -43.28944
    9     7 S   O2Z  _O12     9     1.26238   114.93159   135.81345
   10     5 S   CT   _CB1    10     1.53096   107.42455  -156.84199
   11    10 S   HC   HB11    11     1.09826   109.31049   -50.52502
   12    10 S   HC   HB12    12     1.09816   110.43311    66.02426
   13    10 S   CT   _CG1    13     1.53018   112.68252  -171.60441
   14    13 S   HC   HG11    14     1.09595   110.49672   -64.82919
   15    13 S   HC   HG12    15     1.09659   109.91340    54.37059
   16    13 S   C    _CD1    16     1.51842   112.32658   174.72630
   17    16 S   O    _OE1    17     1.22747   123.29188     0.69154
   18    16 S   N    _N2_    18     1.38552   111.69129  -179.28948
   19    18 S   H    _HN2    19     1.01550   119.00892     4.51110
   20    18 S   CT1  _CA2    20     1.45846   122.90563   177.70254
   21    20 S   HC   _HA2    21     1.09727   109.00694    23.50691
   22    20 S   C    _C2_    22     1.52950   106.95835   -93.53187
   23    22 S   O    _O2_    23     1.22987   123.04198   -26.28731
   24    20 S   CT   _CB2    32     1.53280   112.16964   146.78451
   25    24 S   HC   HB21    33     1.09373   109.65499    54.71063
   26    24 S   HC   HB22    34     1.09415   109.52191   173.32938
   27    22 S   N    _N3_    24     1.38497   112.59682   156.46128
   28    27 S   H    _HN3    25     1.01665   120.35711    -2.09649
   29    24 S   S    _SG2    35     1.82844   110.78434   -66.85021
   30    27 S   CT   _CA3    26     1.45351   122.44691   178.49611
   31    30 S   HC   HA31    27     1.09570   107.76687   -56.17837
   32    30 S   HC   HA32    28     1.09562   107.63957    60.13786
   33    29 S   CT   _C11    36     1.89511   101.91005   172.90143
   34    33 S   OM   _O35    37     1.32563   106.11560   172.20741
   35    30 S   CO3  _C3_    29     1.52878   114.36946  -178.10948
   36    35 S   O2Z  _O31    30     1.26325   116.07513    -1.61532
   37    35 S   O2Z  _O32    31     1.26442   114.39961   178.38021
   38    33 S   CA   _C9_    38     1.55249   108.46870    55.13527
   39    33 S   CT1  _C12    54     1.58771   108.33113   -72.00915
   40    39 S   HC   _H3_    55     1.09662   107.72297    60.96734
   41    38 S   CA   _C8_    39     1.40869   120.57673  -106.66489
   42    41 S   HA   _H8_    40     1.08486   121.54620    -0.90547
   43    39 S   CO4  _C13    56     1.54444   115.42553  -179.80820
   44    43 S   O    _O34    57     1.22431   125.35144    26.15819
   45    39 S   NT   _N4_    63     1.47902   114.01359   -57.07621
   46    45 S   H    _H13    64     1.01865   109.57205   162.29469
   47    45 S   H    _H14    65     1.01937   108.62003    45.80818
   48    41 S   CA   _C7_    41     1.39764   121.97007   177.43486
   49    48 S   HA   _H7_    42     1.08661   119.03922  -179.61083
   50    43 S   S    _S1_    58     1.77962   113.47368  -154.10324
   51    48 S   CA   _C6_    43     1.39122   120.12320    -0.39017
   52    50 S   CT   _C14    59     1.80597   100.19811   178.41539
   53    52 S   HC   _H10    60     1.09326   109.26164  -179.65965
   54    52 S   HC   _H11    61     1.09335   110.54553    61.01880
   55    52 S   HC   _H12    62     1.09341   110.51733   -60.35231
   56    51 S   CA   _C5_    44     1.39633   120.83497     0.31027
   57    51 S   OH   _O36    52     1.36896   119.62550  -179.13340
   58    57 S   HO   _H15    53     0.97209   108.80963     0.66500
   59    38 S   CA   _C10    45     1.42318   123.28638    69.35555
   60    56 S   CT   _C4_    48     1.50442   121.19353  -178.17179
   61    60 S   HC   _H4_    49     1.09445   109.88361    97.81596
   62    60 S   HC   _H5_    50     1.09513   110.94370  -141.41115
   63    60 S   HC   _H6_    51     1.09454   111.95575   -22.83569
   64    59 S   OH   _O33    46     1.37712   120.95129     1.06899
   65    64 S   HO   _H9_    47     0.97549   107.33660     8.17239
  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
  16   7   2   1   1  14  10   6   8   4   9   3   3   1   1   7
   3   4   9   3   2   1   1   9   3   1   6   4   2   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    48    56    59    64    39    40    43    44    50    45    46    47  
   38    41    59    39    40    43    45  
   36    37  
   37  
    0  
   41    42    48    49    51    56    59    64    65    60    39    40    43    45  
   40    43    44    50    52    45    46    47    41    59  
   43    44    50    45    46    47  
   42    48    49    51    56    59    64    57  
   48    49    51    59  
   44    50    52    53    54    55    45    46    47  
   50    52    45  
   46    47    50  
   47  
    0  
   49    51    56    59    60    57    58  
   51    56    57  
   52    53    54    55  
   56    59    64    60    61    62    63    57    58  
   53    54    55  
   54    55  
   55  
    0  
   59    64    65    60    61    62    63    57    58  
   58    59    60  
    0  
   64    65    60    61    62    63  
   61    62    63    64  
   62    63  
   63  
    0  
   65  
    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  -0.175000   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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   46   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    42   367.000  1.080
   41    48   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    56   469.000  1.400
   51    57   450.000  1.364
   56    59   469.000  1.400
   56    60   317.000  1.510
   59    64   450.000  1.364
   64    65   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   57    58   553.000  0.945
   39    40   340.000  1.090
   39    43   255.000  1.522
   39    45   305.000  1.457
   43    44   570.000  1.229
   43    50   210.000  1.799
   50    52   222.000  1.810
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   45    46   434.000  1.010
   45    47   434.000  1.010
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    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  108.68000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  110.61500
   33    39    45    80.00000  111.22000
   38    33    34    85.00000  111.85700
   38    41    42    35.00000  120.00000
   38    41    48    63.00000  120.00000
   38    59    56    63.00000  120.00000
   38    59    64    70.00000  120.00000
   41    48    49    35.00000  120.00000
   41    48    51    63.00000  120.00000
   48    41    42    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    51    57    70.00000  120.00000
   51    48    49    35.00000  120.00000
   51    56    59    63.00000  120.00000
   51    56    60    70.00000  120.00000
   51    57    58    35.00000  113.00000
   56    59    64    70.00000  120.00000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    63    35.00000  109.50000
   59    38    41    63.00000  120.00000
   59    64    65    35.00000  113.00000
   60    56    59    70.00000  120.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   57    51    56    70.00000  120.00000
   39    33    34    50.00000  109.50000
   39    33    38    63.00000  114.00000
   39    43    44    75.00000  123.42600
   39    43    50    70.00000  114.16300
   39    45    46    50.00000  111.55300
   39    45    47    50.00000  111.55300
   43    39    40    45.00000  110.09800
   43    50    52    90.00000   96.72000
   50    43    44    80.00000  121.30200
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   45    39    40    50.00000  109.55000
   45    39    43    75.00000  112.91400
   47    45    46    43.60000  106.40000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43  -2.17200  1.0 1.0
   29    33    39    43  -0.85700 -1.0 2.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    48   3.62500 -1.0 2.0
   33    38    59    56   3.62500 -1.0 2.0
   33    38    59    64   3.62500 -1.0 2.0
   33    39    43    44   0.00000  1.0 1.0
   33    39    43    50   0.00000  1.0 1.0
   33    39    45    46  -0.05950  1.0 1.0
   33    39    45    46   0.08850 -1.0 2.0
   33    39    45    46   0.11750  1.0 3.0
   33    39    45    47  -0.05950  1.0 1.0
   33    39    45    47   0.08850 -1.0 2.0
   33    39    45    47   0.11750  1.0 3.0
   34    33    38    41   0.64500  1.0 1.0
   34    33    38    41   0.14800 -1.0 2.0
   34    33    38    41   0.20650  1.0 3.0
   34    33    38    59   0.64500  1.0 1.0
   34    33    38    59   0.14800 -1.0 2.0
   34    33    38    59   0.20650  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43  -0.09450  1.0 1.0
   34    33    39    43  -1.12950 -1.0 2.0
   34    33    39    43   0.54000  1.0 3.0
   34    33    39    45   1.74050  1.0 1.0
   38    33    39    40   0.23100  1.0 3.0
   38    33    39    43  -0.84850  1.0 1.0
   38    33    39    43  -0.22800 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    33    39    45   0.83750  1.0 1.0
   38    33    39    45   0.32200 -1.0 2.0
   38    33    39    45   0.70600  1.0 3.0
   38    41    48    49   3.62500 -1.0 2.0
   38    41    48    51   3.62500 -1.0 2.0
   38    59    64    65   0.84100 -1.0 2.0
   41    38    59    56   3.62500 -1.0 2.0
   41    38    59    64   3.62500 -1.0 2.0
   41    48   -51    56   3.62500 -1.0 2.0
   41    48    51    57   3.62500 -1.0 2.0
   42    41    48    49   3.62500 -1.0 2.0
   42    41    48    51   3.62500 -1.0 2.0
   48    51    56    59   3.62500 -1.0 2.0
   48    51    56    60   3.62500 -1.0 2.0
   48    51    57    58   0.84100 -1.0 2.0
   49    48    51    56   3.62500 -1.0 2.0
   49    48    51    57   3.62500 -1.0 2.0
   51    56   -59    38   3.62500 -1.0 2.0
   51    56    59    64   3.62500 -1.0 2.0
   51    56    60    61   0.00000  1.0 1.0
   51    56    60    62   0.00000  1.0 1.0
   51    56    60    63   0.00000  1.0 1.0
   56    51    57    58   0.84100 -1.0 2.0
   56    59    64    65   0.84100 -1.0 2.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    48   3.62500 -1.0 2.0
   59    56    60    61   0.00000  1.0 1.0
   59    56    60    62   0.00000  1.0 1.0
   59    56    60    63   0.00000  1.0 1.0
   60    56    59    38   3.62500 -1.0 2.0
   60    56    59    64   3.62500 -1.0 2.0
   57    51    56    59   3.62500 -1.0 2.0
   57    51    56    60   3.62500 -1.0 2.0
   39    33    38    41   0.00000  1.0 1.0
   39    33    38    59   0.00000  1.0 1.0
   39    43    50    52  -0.11550  1.0 1.0
   39    43    50    52   1.88700 -1.0 2.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    50   0.00000  1.0 1.0
   40    39    45    46   0.20000  1.0 3.0
   40    39    45    47   0.20000  1.0 3.0
   43    39    45    46   0.21900  1.0 1.0
   43    39    45    46  -0.24900 -1.0 2.0
   43    39    45    46   0.15200  1.0 3.0
   43    39    45    47   0.21900  1.0 1.0
   43    39    45    47  -0.24900 -1.0 2.0
   43    39    45    47   0.15200  1.0 3.0
   43    50    52    53   0.24000  1.0 3.0
   43    50    52    54   0.24000  1.0 3.0
   43    50    52    55   0.24000  1.0 3.0
   44    43    50    52  -0.11550  1.0 1.0
   44    43    50    52   1.88700 -1.0 2.0
   45    39    43    44   0.30150 -1.0 2.0
   45    39    43    50   0.00000  1.0 1.0
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
   41    59    38    33   4.00000 -1.0 2.0
   48    42    41    38   1.10000 -1.0 2.0
   51    49    48    41   1.10000 -1.0 2.0
   56    57    51    48   4.00000 -1.0 2.0
   59    60    56    51   4.00000 -1.0 2.0
   56    64    59    38   4.00000 -1.0 2.0
   39    50    43    44  10.50000 -1.0 2.0
END
