* LIGAND DATABASE FILE (OPLS2005)
*
001      64    63    114    159     329
    1     0 S   NP   _N1_     1    29.25131    91.22232   -20.69161
    2     1 S   H    _HN1     2     1.02936   102.58760    46.45492
    3     1 S   H    _H1_     3     1.02905    11.69046   161.33844
    4     1 S   H    _H2_     4     1.02783    99.81334   -64.85062
    5     1 S   CT   _CA1     5     1.50352   121.87393   171.30690
    6     5 S   HC   _HA1     6     1.09698   104.79277    58.77354
    7     5 S   CO3  _C1_     7     1.54055   110.85990   -57.97461
    8     7 S   O2Z  _O11     8     1.26034   116.14124   -97.78400
    9     7 S   O2Z  _O12     9     1.26466   114.00529    80.14671
   10     5 S   CT   _CB1    10     1.53122   107.11703   174.48051
   11    10 S   HC   HB11    11     1.09817   109.05138   -51.27649
   12    10 S   HC   HB12    12     1.09791   110.71089    65.17993
   13    10 S   CT   _CG1    13     1.53061   112.39472  -172.29737
   14    13 S   HC   HG11    14     1.09548   110.42071   -66.34562
   15    13 S   HC   HG12    15     1.09660   110.11227    52.62170
   16    13 S   C    _CD1    16     1.51852   112.34598   172.22284
   17    16 S   O    _OE1    17     1.22754   123.14646   -14.51023
   18    16 S   N    _N2_    18     1.38609   111.81610   167.12261
   19    18 S   H    _HN2    19     1.01613   118.99533    -1.77078
   20    18 S   CT1  _CA2    20     1.46245   123.46108   178.29935
   21    20 S   HC   _HA2    21     1.09752   109.20714   -16.32318
   22    20 S   C    _C2_    22     1.53486   108.19002  -131.68470
   23    22 S   O    _O2_    23     1.23010   122.32094  -146.55797
   24    20 S   CTL  _CB2    32     1.53446   111.73431   105.94861
   25    24 S   HC   HB21    33     1.09589   109.77855    53.05671
   26    24 S   HC   HB22    34     1.09530   110.26921   172.18988
   27    22 S   N    _N3_    24     1.38541   113.32759    40.97695
   28    27 S   H    _HN3    25     1.01529   118.88113    -0.82851
   29    24 S   S    _SG2    35     1.82539   111.62126   -68.26162
   30    27 S   CT   _CA3    26     1.45445   123.47086   174.89869
   31    30 S   HC   HA31    27     1.09523   109.24575    24.24298
   32    30 S   HC   HA32    28     1.09494   107.12211   141.26480
   33    29 S   S    _S14    36     2.05569   102.07091   175.36811
   34    30 S   CO3  _C3_    29     1.52930   113.10540   -99.22933
   35    34 S   O2Z  _O31    30     1.26403   115.41015   -43.91381
   36    34 S   O2Z  _O32    31     1.26353   114.97493   137.00547
   37    33 S   CT   _C11    37     1.82904   103.32392   -81.75782
   38    37 S   HC   _H28    38     1.09408   108.53745    62.13681
   39    37 S   HC   _H29    39     1.09536   106.41392   177.14076
   40    37 S   CT   _C10    40     1.53512   112.85842   -62.46858
   41    40 S   HC   _H26    41     1.09703   109.98448    67.26932
   42    40 S   HC   _H27    42     1.09877   108.18864   -48.91020
   43    40 S   CT   _C12    43     1.54472   113.21638  -168.36793
   44    43 S   SM   _S12    44     1.83551   111.03364   -73.45950
   45    43 S   HC   _H30    45     1.09838   107.40924    47.30491
   46    43 S   CT   _C9_    46     1.54870   111.93652   162.84552
   47    46 S   HC   _H24    47     1.09891   110.03326   179.20549
   48    46 S   HC   _H25    48     1.09923   107.11024   -66.63368
   49    46 S   CT   _C8_    49     1.53864   116.89204    54.21274
   50    49 S   HC   _H22    50     1.09487   110.21732    65.76663
   51    49 S   HC   _H23    51     1.09535   110.32063   -52.59123
   52    49 S   CT   _C7_    52     1.53420   110.81829  -172.79486
   53    52 S   HC   _H20    53     1.09642   110.03723   -55.48877
   54    52 S   HC   _H21    54     1.09716   108.58304    61.11895
   55    52 S   CT   _C6_    55     1.52951   112.30054  -179.15327
   56    55 S   HC   _H18    56     1.09599   109.74555   -45.64735
   57    55 S   HC   _H19    57     1.09680   108.69721  -163.63517
   58    55 S   CO4  _C4_    58     1.51661   113.14481    77.70366
   59    58 S   O    _O10    59     1.22437   124.26633    16.73993
   60    58 S   S    _S13    60     1.76898   113.25100  -166.08644
   61    60 S   CT   _C5_    61     1.80656   100.13360  -176.04988
   62    61 S   HC   _H15    62     1.09319   109.24757  -177.94405
   63    61 S   HC   _H16    63     1.09336   110.38518    62.76052
   64    61 S   HC   _H17    64     1.09287   110.75840   -58.48174
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   7   2   1   1   9   5   4   9   5   4   9   5   4   9   5   4
   9   5   4   8   5   4   6   4   3   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46  
   39    40    41    42    43  
   40    41    42    43  
   41    42    43    44    45    46    47    48    49  
   42    43    44    45    46  
   43    44    45    46  
   44    45    46    47    48    49    50    51    52  
   45    46    47    48    49  
   46    47    48    49  
   47    48    49    50    51    52    53    54    55  
   48    49    50    51    52  
   49    50    51    52  
   50    51    52    53    54    55    56    57    58  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59    60  
   54    55    56    57    58  
   55    56    57    58  
   56    57    58    59    60    61  
   57    58    59    60  
   58    59    60  
   59    60    61    62    63    64  
   60    61  
   61    62    63    64  
   62    63    64  
   63    64  
   64  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.200000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   45   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   61   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   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   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   268.000  1.529
   43    44   222.000  1.810
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   317.000  1.522
   58    59   570.000  1.229
   58    60   210.000  1.799
   60    61   222.000  1.810
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    50.00000  114.70000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    35.00000  109.50000
   33    37    40    75.00000  111.63000
   37    40    41    37.50000  110.70000
   37    40    42    37.50000  110.70000
   37    40    43    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    43    44    75.00000  111.63000
   40    43    45    37.50000  110.70000
   40    43    46    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    37.50000  110.70000
   43    40    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    58.35000  112.70000
   45    43    44    35.00000  109.50000
   46    43    44    75.00000  111.63000
   46    43    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    63.00000  111.10000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    80.00000  120.40000
   55    58    60    70.00000  114.16300
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    60    61    90.00000   96.72000
   60    58    59    80.00000  121.30200
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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   0.22600  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.27900  1.0 3.0
   26    24    29    33   0.27900  1.0 3.0
   29    33    37    38   0.24000  1.0 3.0
   29    33    37    39   0.24000  1.0 3.0
   29    33    37    40   0.09450  1.0 1.0
   29    33    37    40  -0.17100 -1.0 2.0
   29    33    37    40   0.39100  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    42   0.15000  1.0 3.0
   33    37    40    43   0.44750  1.0 1.0
   33    37    40    43  -0.17800 -1.0 2.0
   33    37    40    43   0.20200  1.0 3.0
   37    40    43    44   0.44750  1.0 1.0
   37    40    43    44  -0.17800 -1.0 2.0
   37    40    43    44   0.20200  1.0 3.0
   37    40    43    45   0.15000  1.0 3.0
   37    40    43    46   0.56750  1.0 1.0
   37    40    43    46  -0.07550 -1.0 2.0
   37    40    43    46   0.20000  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42   0.15000  1.0 3.0
   38    37    40    43   0.15000  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42   0.15000  1.0 3.0
   39    37    40    43   0.15000  1.0 3.0
   40    43    46    47   0.15000  1.0 3.0
   40    43    46    48   0.15000  1.0 3.0
   40    43    46    49   0.56750  1.0 1.0
   40    43    46    49  -0.07550 -1.0 2.0
   40    43    46    49   0.20000  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    46   0.15000  1.0 3.0
   42    40    43    44   0.15000  1.0 3.0
   42    40    43    45   0.15000  1.0 3.0
   42    40    43    46   0.15000  1.0 3.0
   43    46    49    50   0.15000  1.0 3.0
   43    46    49    51   0.15000  1.0 3.0
   43    46    49    52   0.56750  1.0 1.0
   43    46    49    52  -0.07550 -1.0 2.0
   43    46    49    52   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.44750  1.0 1.0
   44    43    46    49  -0.17800 -1.0 2.0
   44    43    46    49   0.20200  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.15000  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.15000  1.0 3.0
   46    49    52    55   0.56750  1.0 1.0
   46    49    52    55  -0.07550 -1.0 2.0
   46    49    52    55   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.15000  1.0 3.0
   49    52    55    58  -0.95700  1.0 1.0
   49    52    55    58  -0.18200 -1.0 2.0
   49    52    55    58   0.29450  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    58    59   0.30150 -1.0 2.0
   52    55    58    60   0.00000  1.0 1.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58  -0.11250  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58  -0.11250  1.0 3.0
   55    58    60    61  -0.11550  1.0 1.0
   55    58    60    61   1.88700 -1.0 2.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   57    55    58    59   0.00000  1.0 1.0
   57    55    58    60   0.00000  1.0 1.0
   58    60    61    62   0.24000  1.0 3.0
   58    60    61    63   0.24000  1.0 3.0
   58    60    61    64   0.24000  1.0 3.0
   59    58    60    61  -0.11550  1.0 1.0
   59    58    60    61   1.88700 -1.0 2.0
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
   36    30    34    35  10.50000 -1.0 2.0
   55    60    58    59  10.50000 -1.0 2.0
END
