* LIGAND DATABASE FILE (OPLS2005)
*
001      67    66    116    165     335
    1     0 S   NP   _N1_     1    29.57538    95.13170   -24.63235
    2     1 S   H    _HN1     2     1.02828    30.91277  -172.24529
    3     1 S   H    _H1_     3     1.02787   116.98894   -92.56556
    4     1 S   H    _H2_     4     1.02950    76.22425    11.26923
    5     1 S   CT   _CA1     5     1.50116   124.91922   116.72673
    6     5 S   HC   _HA1     6     1.09573   105.19135    90.52223
    7     5 S   CO3  _C1_     7     1.53786   112.47895   -29.71192
    8     7 S   O2Z  _O11     8     1.26373   115.00916   -42.16397
    9     7 S   O2Z  _O12     9     1.26241   114.94902   136.96090
   10     5 S   CT   _CB1    10     1.53070   107.41610  -151.48823
   11    10 S   HC   HB11    11     1.09834   109.36744   -49.63835
   12    10 S   HC   HB12    12     1.09813   110.44753    66.96931
   13    10 S   CT   _CG1    13     1.52990   112.61029  -170.61448
   14    13 S   HC   HG11    14     1.09580   110.63708   -65.85361
   15    13 S   HC   HG12    15     1.09671   109.78304    53.38789
   16    13 S   C    _CD1    16     1.51796   112.20077   173.84012
   17    16 S   O    _OE1    17     1.22716   123.22683     7.38671
   18    16 S   N    _N2_    18     1.38640   111.65264  -172.78877
   19    18 S   H    _HN2    19     1.01581   118.92817     1.54687
   20    18 S   CT1  _CA2    20     1.46179   123.39115   177.15641
   21    20 S   HC   _HA2    21     1.09538   109.31661     0.34035
   22    20 S   C    _C2_    22     1.53544   108.31993  -114.95065
   23    22 S   O    _O2_    23     1.23056   122.35598  -146.38990
   24    20 S   CTL  _CB2    32     1.53277   111.55422   123.01994
   25    24 S   HC   HB21    33     1.09666   109.63751    58.75931
   26    24 S   HC   HB22    34     1.09556   111.14627   176.02310
   27    22 S   N    _N3_    24     1.38347   113.64637    40.62722
   28    27 S   H    _HN3    25     1.01589   119.52124    -2.34151
   29    24 S   S    _SG2    35     1.82968   114.29299   -60.86910
   30    27 S   CT   _CA3    26     1.45246   123.17744   178.00208
   31    30 S   HC   HA31    27     1.09492   107.58339   -63.67027
   32    30 S   HC   HA32    28     1.09556   107.94786    52.71009
   33    29 S   S    _S2_    36     2.05643   103.03415   -66.75484
   34    30 S   CO3  _C3_    29     1.52928   114.13835   174.57678
   35    34 S   O2Z  _O31    30     1.26368   116.09833    -3.94139
   36    34 S   O2Z  _O32    31     1.26437   114.40004   176.20341
   37    33 S   CTL  _C10    37     1.82857   101.79935   -82.02614
   38    37 S   HC   _H12    38     1.09484   108.17977    56.32341
   39    37 S   HC   _H13    39     1.09514   108.10946   -60.42307
   40    37 S   CT1  _C9_    40     1.53676   113.03634   177.56225
   41    40 S   HC   _H4_    41     1.09799   108.22477  -176.98559
   42    40 S   C    _C11    42     1.53037   112.42956    64.34038
   43    42 S   O    _O35    43     1.22969   122.77783  -107.91395
   44    40 S   N    _N5_    50     1.45732   112.87396   -59.12238
   45    44 S   H    _H11    51     1.01675   117.80890   105.91622
   46    42 S   N    _N6_    44     1.38640   112.78488    71.15844
   47    46 S   H    _H14    45     1.01507   119.78034     3.62407
   48    44 S   C    _C8_    52     1.38653   122.82027   -72.96612
   49    48 S   O    _O34    53     1.22990   124.28178    -2.15658
   50    46 S   CT   _C12    46     1.44345   122.18014  -179.44715
   51    50 S   HC   _H15    47     1.09291   108.47437   -82.50835
   52    50 S   HC   _H16    48     1.09233   108.60240   158.15327
   53    50 S   HC   _H17    49     1.09310   110.27518    37.46180
   54    48 S   CT1  _C6_    54     1.53066   112.58509  -179.61794
   55    54 S   HC   _H3_    55     1.09793   108.63574   -32.17111
   56    54 S   CT   _C7_    56     1.53913   108.99611    89.61180
   57    56 S   SM   _S1_    57     1.83552   110.84457  -171.13618
   58    56 S   HC   _H9_    58     1.09810   109.13093    65.10258
   59    56 S   HC   _H10    59     1.09770   108.77003   -48.89546
   60    54 S   N    _N4_    60     1.45940   106.38095  -148.76211
   61    60 S   H    _H8_    61     1.01478   117.59966   -88.07704
   62    60 S   C    _C5_    62     1.38233   122.71011    88.35167
   63    62 S   O    _O33    63     1.22840   125.29459    -0.67551
   64    62 S   CT   _C4_    64     1.50487   112.99481  -179.31786
   65    64 S   HC   _H5_    65     1.09302   109.11842    95.92669
   66    64 S   HC   _H6_    66     1.09338   109.19998  -144.31005
   67    64 S   HC   _H7_    67     1.09359   111.51453   -24.73122
  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  10   5   4  11   6  10   4   8   3   5   4  10
   4   3   2   1   1  10   7   6   3   2   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    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    44  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    44    45    48  
   39    40    41    42    44  
   40    41    42    44  
   41    42    43    46    47    50    44    45    48    49    54  
   42    43    46    44    45    48  
   43    46    47    50    51    52    53    44    45    48  
   46    47    50    44  
   45    48    49    54    55    56    60    46  
   48    49    54  
   47    50    51    52    53  
   50    51    52    53  
   49    54    55    56    57    58    59    60    61    62  
   54    55    56    60  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61    62    63    64  
   56    57    58    59    60    61    62  
   57    58    59    60    61    62  
   58    59    60  
   59    60  
   60  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67  
   66    67  
   67  
    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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5000   0.0660   0.020000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.300000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   58   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   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   317.000  1.522
   40    44   337.000  1.449
   42    43   570.000  1.229
   42    46   490.000  1.335
   46    47   434.000  1.010
   46    50   337.000  1.449
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   44    45   434.000  1.010
   44    48   490.000  1.335
   48    49   570.000  1.229
   48    54   317.000  1.522
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    60   337.000  1.449
   56    57   222.000  1.810
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   434.000  1.010
   60    62   490.000  1.335
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    50.00000  114.70000
   37    40    41    37.50000  110.70000
   37    40    42    63.00000  111.10000
   37    40    44    80.00000  109.70000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    42    43    80.00000  120.40000
   40    42    46    70.00000  116.60000
   40    44    45    38.00000  118.40000
   40    44    48    50.00000  121.90000
   42    40    41    35.00000  109.50000
   42    46    47    35.00000  119.80000
   42    46    50    50.00000  121.90000
   46    42    43    80.00000  122.90000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    53    35.00000  109.50000
   50    46    47    38.00000  118.40000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    63.00000  110.10000
   44    48    49    80.00000  122.90000
   44    48    54    70.00000  116.60000
   48    44    45    35.00000  119.80000
   48    54    55    35.00000  109.50000
   48    54    56    63.00000  111.10000
   48    54    60    63.00000  110.10000
   54    48    49    80.00000  120.40000
   54    56    57    50.00000  114.70000
   54    56    58    37.50000  110.70000
   54    56    59    37.50000  110.70000
   54    60    61    38.00000  118.40000
   54    60    62    50.00000  121.90000
   56    54    55    37.50000  110.70000
   58    56    57    35.00000  109.50000
   59    56    57    35.00000  109.50000
   59    56    58    33.00000  107.80000
   60    54    55    35.00000  109.50000
   60    54    56    80.00000  109.70000
   60    62    63    80.00000  122.90000
   60    62    64    70.00000  116.60000
   62    60    61    35.00000  119.80000
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    64    67    35.00000  109.50000
   64    62    63    80.00000  120.40000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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  -3.70700 -1.0 2.0
   24    29    33    37   0.85250  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   0.27900  1.0 3.0
   29    33    37    39   0.27900  1.0 3.0
   29    33    37    40   0.97050  1.0 1.0
   29    33    37    40  -0.41800 -1.0 2.0
   29    33    37    40   0.46750  1.0 3.0
   33    37    40    41   0.22600  1.0 3.0
   33    37    40    42  -2.17200  1.0 1.0
   33    37    40    42  -0.85700 -1.0 2.0
   33    37    40    44   0.71400  1.0 1.0
   33    37    40    44   0.04300 -1.0 2.0
   33    37    40    44   0.01450  1.0 3.0
   37    40    42    43   0.00000  1.0 1.0
   37    40    42    46   0.93250  1.0 1.0
   37    40    42    46   0.04450 -1.0 2.0
   37    40    42    46   0.17550  1.0 3.0
   37    40    44    45   0.00000  1.0 1.0
   37    40    44    48   0.25950  1.0 1.0
   37    40    44    48   0.43850 -1.0 2.0
   37    40    44    48   2.61650  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42  -0.03800  1.0 3.0
   38    37    40    44   0.23200  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42  -0.03800  1.0 3.0
   39    37    40    44   0.23200  1.0 3.0
   40    42    46    47   2.45000 -1.0 2.0
   40    42    46    50   1.15000  1.0 1.0
   40    42    46    50   3.04450 -1.0 2.0
   40    44    48    49   3.04450 -1.0 2.0
   40    44    48    54   1.15000  1.0 1.0
   40    44    48    54   3.04450 -1.0 2.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    48   0.00000  1.0 1.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    48  -0.29800  1.0 1.0
   42    40    44    48   0.13950 -1.0 2.0
   42    40    44    48  -2.45650  1.0 3.0
   42    46    50    51   0.00000  1.0 1.0
   42    46    50    52   0.00000  1.0 1.0
   42    46    50    53   0.00000  1.0 1.0
   43    42    46    47   2.45000 -1.0 2.0
   43    42    46    50   3.04450 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.00000  1.0 1.0
   47    46    50    53   0.00000  1.0 1.0
   44    40    42    43   0.00000  1.0 1.0
   44    40    42    46   0.37150  1.0 1.0
   44    40    42    46   1.25400 -1.0 2.0
   44    40    42    46  -0.40250  1.0 3.0
   44    48    54    55   0.00000  1.0 1.0
   44    48    54    56   0.93250  1.0 1.0
   44    48    54    56   0.04450 -1.0 2.0
   44    48    54    56   0.17550  1.0 3.0
   44    48    54    60   0.37150  1.0 1.0
   44    48    54    60   1.25400 -1.0 2.0
   44    48    54    60  -0.40250  1.0 3.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    54   2.45000 -1.0 2.0
   48    54    56    57  -2.17200  1.0 1.0
   48    54    56    57  -0.85700 -1.0 2.0
   48    54    56    58  -0.03800  1.0 3.0
   48    54    56    59  -0.03800  1.0 3.0
   48    54    60    61   0.00000  1.0 1.0
   48    54    60    62  -0.29800  1.0 1.0
   48    54    60    62   0.13950 -1.0 2.0
   48    54    60    62  -2.45650  1.0 3.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    56   0.00000  1.0 1.0
   49    48    54    60   0.00000  1.0 1.0
   54    60    62    63   3.04450 -1.0 2.0
   54    60    62    64   1.15000  1.0 1.0
   54    60    62    64   3.04450 -1.0 2.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    59   0.15000  1.0 3.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    62   0.00000  1.0 1.0
   56    54    60    61   0.00000  1.0 1.0
   56    54    60    62   0.25950  1.0 1.0
   56    54    60    62   0.43850 -1.0 2.0
   56    54    60    62   2.61650  1.0 3.0
   60    54    56    57   0.71400  1.0 1.0
   60    54    56    57   0.04300 -1.0 2.0
   60    54    56    57   0.01450  1.0 3.0
   60    54    56    58   0.23200  1.0 3.0
   60    54    56    59   0.23200  1.0 3.0
   60    62    64    65   0.00000  1.0 1.0
   60    62    64    66   0.00000  1.0 1.0
   60    62    64    67   0.00000  1.0 1.0
   61    60    62    63   2.45000 -1.0 2.0
   61    60    62    64   2.45000 -1.0 2.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    67   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
   35    30    34    36  10.50000 -1.0 2.0
   40    46    42    43  10.50000 -1.0 2.0
   47    42    46    50   1.00000 -1.0 2.0
   45    48    44    40   1.00000 -1.0 2.0
   44    54    48    49  10.50000 -1.0 2.0
   61    62    60    54   1.00000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
END
