* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    108    164     322
    1     0 S   NP   _N1_     1    28.39109    97.44244   -21.09274
    2     1 S   H    _HN1     2     1.02775   105.50527  -151.87056
    3     1 S   H    _H1_     3     1.02846    71.42305   -47.34784
    4     1 S   H    _H2_     4     1.02955    39.01699   108.79438
    5     1 S   CT   _CA1     5     1.50606   138.42821    54.00992
    6     5 S   HC   _HA1     6     1.09680   104.56488    96.72454
    7     5 S   CO3  _C1_     7     1.54449   110.67262   -19.10272
    8     7 S   O2Z  _O11     8     1.26006   116.72368  -118.35581
    9     7 S   O2Z  _O12     9     1.26617   113.69156    59.90135
   10     5 S   CT   _CB1    10     1.53129   106.93212  -147.11836
   11    10 S   HC   HB11    11     1.09845   110.08220   -40.60787
   12    10 S   HC   HB12    12     1.09760   110.20771    76.04768
   13    10 S   CT   _CG1    13     1.53039   112.29787  -160.99906
   14    13 S   HC   HG11    14     1.09527   111.06249   -59.18715
   15    13 S   HC   HG12    15     1.09670   109.55081    59.78877
   16    13 S   C    _CD1    16     1.51858   112.04031  -179.49487
   17    16 S   O    _OE1    17     1.22790   123.27400    13.43601
   18    16 S   N    _N2_    18     1.38407   111.91242  -167.58818
   19    18 S   H    _HN2    19     1.01800   119.12217     4.72742
   20    18 S   CT1  _CA2    20     1.45816   123.06183  -178.68344
   21    20 S   HC   _HA2    21     1.09737   108.62510    30.17348
   22    20 S   C    _C2_    22     1.52943   107.55054   -87.17112
   23    22 S   O    _O2_    23     1.22958   123.20248   -25.56914
   24    20 S   CT   _CB2    32     1.53306   111.85460   153.04166
   25    24 S   HC   HB21    33     1.09232   109.33624    59.07373
   26    24 S   HC   HB22    34     1.09508   110.54608   177.03278
   27    22 S   N    _N3_    24     1.38531   112.41814   157.14041
   28    27 S   H    _HN3    25     1.01645   120.33243    -2.48979
   29    24 S   S    _SG2    35     1.82769   110.68957   -63.33726
   30    27 S   CT   _CA3    26     1.45352   122.54651   178.57536
   31    30 S   HC   HA31    27     1.09564   107.87932   -54.54332
   32    30 S   HC   HA32    28     1.09559   107.56463    61.82062
   33    29 S   CT   _C9_    36     1.87268   101.72676   151.74914
   34    30 S   CO3  _C3_    29     1.52904   114.25833  -176.46548
   35    34 S   O2Z  _O31    30     1.26345   116.03692     0.62526
   36    34 S   O2Z  _O32    31     1.26430   114.42663  -179.43421
   37    33 S   CM   _C4_    37     1.52188   106.41038  -179.67374
   38    37 S   HC   _H6_    38     1.09151   116.21846    43.81119
   39    33 S   CT   _C10    53     1.55138   111.07316   -62.35832
   40    39 S   HC   _H7_    54     1.09639   110.86160  -165.44205
   41    39 S   HC   _H8_    55     1.09476   110.97104    76.55080
   42    37 S   CMA  _C5_    39     1.35232   126.28609  -136.84393
   43    42 S   OM   _O40    40     1.26389   128.83221   178.00355
   44    39 S   OS   _O33    56     1.42599   111.90204   -45.95828
   45    42 S   CT   _C6_    41     1.53905   119.40027    -1.89465
   46    45 S   HC   _H3_    42     1.09945   109.27338   113.17955
   47    44 S   P2   _P1_    57     1.63217   118.89246   160.96232
   48    47 S   O2Z  _O36    58     1.51064   108.97891   179.09604
   49    47 S   O2Z  _O34    59     1.51147   109.49341    44.41555
   50    45 S   CT   _C7_    43     1.53845   114.73964    -9.84900
   51    50 S   HC   _H4_    44     1.09620   110.09492   -82.29213
   52    45 S   OH   _O39    51     1.43899   110.70372  -130.23676
   53    52 S   HO   _H12    52     0.97404   105.87625   -36.88443
   54    47 S   OS   _O35    60     1.63161    99.33109   -68.55170
   55    54 S   HO   _H9_    61     0.97922   116.09918   173.16574
   56    33 S   CT   _C8_    45     1.55289   110.02765    60.71123
   57    56 S   HC   _H5_    46     1.09639   111.19364   -73.26865
   58    50 S   OH   _O38    49     1.43249   108.81536   161.98999
   59    58 S   HO   _H11    50     0.97181   107.50282  -178.22546
   60    56 S   OH   _O37    47     1.43540   111.73395    45.18626
   61    60 S   HO   _H10    48     0.97252   107.40690   -42.52824
  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  12   5   4   3
  17   2   1   1  14   5  12   4   3   9   4   6  10   6   4   3
   2   9   6   3   1   1   1   5   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    50    56    57    60    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    45    50    51    56    57    60    61    58    39    40    41    44    47  
   35    36  
   36  
    0  
   38    42    43    45    46    50    56    57    60    52    39    40    41    44  
   42    43    45    56    39  
   40    41    44    47    48    49    54    42    50    56    57    60  
   41    44    47    56  
   44    47    56  
   43    45    46    50    51    56    58    52    53  
   45    46    50    52  
   47    48    49    54    55    56  
   46    50    51    56    57    60    58    59    52    53  
   50    51    56    58    52    53  
   48    49    54    55  
   49    54    55  
   54    55  
   51    56    57    60    61    58    59    52    53  
   56    57    60    58    59    52  
   53    56    58  
    0  
   55  
    0  
   57    60    61    58    59  
   60    61    58  
   59    60  
    0  
   61  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   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    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   222.000  1.810
   33    37   317.000  1.510
   33    56   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    45   270.000  1.512
   45    46   340.000  1.090
   45    50   268.000  1.529
   45    52   320.000  1.410
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    58   320.000  1.410
   56    57   340.000  1.090
   56    60   320.000  1.410
   60    61   553.000  0.945
   58    59   553.000  0.945
   52    53   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   320.000  1.410
   44    47   230.000  1.697
   47    48   525.000  1.480
   47    49   525.000  1.480
   47    54   230.000  1.697
   54    55   553.000  0.945
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    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    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    37    75.00000  112.20000
   29    33    56    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    56    50    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    60    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    50.00000  109.50000
   37    42    43    65.00000  137.10300
   37    42    45    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    45    46    45.00000  110.52000
   42    45    50    70.00000  112.02700
   42    45    52    90.00000  110.39200
   45    42    43    85.00000  112.85300
   45    50    51    37.50000  110.70000
   45    50    56    58.35000  112.70000
   45    50    58    50.00000  109.50000
   45    52    53    55.00000  108.50000
   50    45    46    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    60    50.00000  109.50000
   50    58    59    55.00000  108.50000
   56    33    37    70.00000  112.02700
   56    50    51    37.50000  110.70000
   56    60    61    55.00000  108.50000
   60    56    57    35.00000  109.50000
   58    50    51    35.00000  109.50000
   58    50    56    50.00000  109.50000
   52    45    46    35.00000  109.50000
   52    45    50    50.00000  109.50000
   39    33    37    70.00000  112.02700
   39    33    56    58.35000  112.70000
   39    44    47   100.00000  120.50000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    47    48   100.00000  108.23000
   44    47    49   100.00000  108.23000
   44    47    54    45.00000  102.60000
   47    54    55    45.00000  108.50000
   49    47    48   140.00000  119.90000
   54    47    48   100.00000  108.23000
   54    47    49   100.00000  108.23000
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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    56    50   0.44750  1.0 1.0
   29    33    56    50  -0.17800 -1.0 2.0
   29    33    56    50   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    60   0.56750  1.0 1.0
   29    33    56    60  -0.07550 -1.0 2.0
   29    33    56    60   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  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    37    42    43   7.00000 -1.0 2.0
   33    37    42    45   7.00000 -1.0 2.0
   33    56    60    61  -0.11600  1.0 1.0
   33    56    60    61  -0.09450 -1.0 2.0
   33    56    60    61   0.21250  1.0 3.0
   33    39    44    47  -2.65550  1.0 1.0
   33    39    44    47  -0.22350 -1.0 2.0
   33    39    44    47   0.24150  1.0 3.0
   37    33    56    50   0.34400  1.0 1.0
   37    33    56    50   0.09450 -1.0 2.0
   37    33    56    50   0.11100  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    60   1.05650  1.0 1.0
   37    33    56    60   0.15600 -1.0 2.0
   37    33    56    60   0.53150  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.61850  1.0 1.0
   37    33    39    44  -0.22750 -1.0 2.0
   37    33    39    44   0.15300  1.0 3.0
   37    42    45    46   0.00000  1.0 1.0
   37    42   -45    50   0.09850  1.0 1.0
   37    42   -45    50   0.15250 -1.0 2.0
   37    42   -45    50  -0.50650  1.0 3.0
   37    42    45    52   0.67800  1.0 1.0
   37    42    45    52   0.47050 -1.0 2.0
   37    42    45    52  -0.62500  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    45   7.00000 -1.0 2.0
   42    45    50    51   0.15000  1.0 3.0
   42    45    50    56   0.34400  1.0 1.0
   42    45    50    56   0.09450 -1.0 2.0
   42    45    50    56   0.11100  1.0 3.0
   42    45    50    58   1.05650  1.0 1.0
   42    45    50    58   0.15600 -1.0 2.0
   42    45    50    58   0.53150  1.0 3.0
   42    45    52    53  -0.07800  1.0 1.0
   42    45    52    53  -0.21500 -1.0 2.0
   42    45    52    53  -0.03150  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    50   0.09700  1.0 1.0
   43    42    45    50   0.15600 -1.0 2.0
   43    42    45    50  -0.50800  1.0 3.0
   43    42    45    52   0.09700  1.0 1.0
   43    42    45    52   0.15600 -1.0 2.0
   43    42    45    52  -0.50800  1.0 3.0
   45    50   -56    33   0.56750  1.0 1.0
   45    50   -56    33  -0.07550 -1.0 2.0
   45    50   -56    33   0.20000  1.0 3.0
   45    50    56    57   0.15000  1.0 3.0
   45    50    56    60   0.86500  1.0 1.0
   45    50    56    60  -0.17500 -1.0 2.0
   45    50    56    60   0.20800  1.0 3.0
   45    50    58    59  -0.11600  1.0 1.0
   45    50    58    59  -0.09450 -1.0 2.0
   45    50    58    59   0.21250  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    56   0.15000  1.0 3.0
   46    45    50    58   0.23400  1.0 3.0
   46    45    52    53   0.19450  1.0 3.0
   50    45    52    53  -0.11600  1.0 1.0
   50    45    52    53  -0.09450 -1.0 2.0
   50    45    52    53   0.21250  1.0 3.0
   50    56    60    61  -0.11600  1.0 1.0
   50    56    60    61  -0.09450 -1.0 2.0
   50    56    60    61   0.21250  1.0 3.0
   51    50    56    33   0.15000  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    60   0.23400  1.0 3.0
   51    50    58    59   0.19450  1.0 3.0
   56    33    37    38   0.00000  1.0 1.0
   56    33   -37    42   0.09850  1.0 1.0
   56    33   -37    42   0.15250 -1.0 2.0
   56    33   -37    42  -0.50650  1.0 3.0
   56    33    39    40   0.15000  1.0 3.0
   56    33    39    41   0.15000  1.0 3.0
   56    33    39    44   0.62750  1.0 1.0
   56    33    39    44  -0.30950 -1.0 2.0
   56    33    39    44   0.27300  1.0 3.0
   56    50    58    59  -0.11600  1.0 1.0
   56    50    58    59  -0.09450 -1.0 2.0
   56    50    58    59   0.21250  1.0 3.0
   57    56    60    61   0.19450  1.0 3.0
   58    50    56    33   0.86500  1.0 1.0
   58    50    56    33  -0.17500 -1.0 2.0
   58    50    56    33   0.20800  1.0 3.0
   58    50    56    57   0.23400  1.0 3.0
   58    50    56    60   3.75450  1.0 1.0
   52    45    50    51   0.23400  1.0 3.0
   52    45    50    56   0.86500  1.0 1.0
   52    45    50    56  -0.17500 -1.0 2.0
   52    45    50    56   0.20800  1.0 3.0
   52    45    50    58   3.75450  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    56    50   0.56750  1.0 1.0
   39    33    56    50  -0.07550 -1.0 2.0
   39    33    56    50   0.20000  1.0 3.0
   39    33    56    57   0.15000  1.0 3.0
   39    33    56    60   0.86500  1.0 1.0
   39    33    56    60  -0.17500 -1.0 2.0
   39    33    56    60   0.20800  1.0 3.0
   39    44    47    48   0.00000  1.0 1.0
   39    44    47    49   0.00000  1.0 1.0
   39    44    47    54   0.05050  1.0 1.0
   39    44    47    54  -1.30700 -1.0 2.0
   39    44    47    54   0.91550  1.0 3.0
   40    39    44    47   0.03000  1.0 3.0
   41    39    44    47   0.03000  1.0 3.0
   44    47    54    55   0.00000  1.0 1.0
   48    47    54    55   0.00000  1.0 1.0
   49    47    54    55   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
   33    38    37    42   1.10000 -1.0 2.0
   45    43    42    37   1.10000 -1.0 2.0
END
