* LIGAND DATABASE FILE (OPLS2005)
*
001      61    62    113    177     335
    1     0 S   NP   _N1_     1    28.71080    95.62127   -23.20157
    2     1 S   H    _HN1     2     1.02782   102.81219   -85.86486
    3     1 S   H    _H1_     3     1.02952    76.59588    20.27469
    4     1 S   H    _H2_     4     1.02828    34.73137   171.12294
    5     1 S   CT   _CA1     5     1.50113   138.83574   126.02843
    6     5 S   HC   _HA1     6     1.09574   105.20151    84.75190
    7     5 S   CO3  _C1_     7     1.53789   112.46764   -35.46339
    8     7 S   O2Z  _O11     8     1.26368   115.00119   -42.20431
    9     7 S   O2Z  _O12     9     1.26242   114.94704   136.95284
   10     5 S   CT   _CB1    10     1.53088   107.42293  -157.28021
   11    10 S   HC   HB11    11     1.09829   109.35360   -50.03338
   12    10 S   HC   HB12    12     1.09813   110.44543    66.56986
   13    10 S   CT   _CG1    13     1.52978   112.60860  -171.04871
   14    13 S   HC   HG11    14     1.09589   110.57216   -65.42864
   15    13 S   HC   HG12    15     1.09670   109.83536    53.79184
   16    13 S   C    _CD1    16     1.51799   112.31859   174.20742
   17    16 S   O    _OE1    17     1.22719   123.33440     4.38646
   18    16 S   N    _N2_    18     1.38641   111.59432  -175.64144
   19    18 S   H    _HN2    19     1.01585   118.90614     1.73122
   20    18 S   CT1  _CA2    20     1.46192   123.42870   177.89857
   21    20 S   HC   _HA2    21     1.09733   109.44053     0.04846
   22    20 S   C    _C2_    22     1.53503   108.53760  -115.46266
   23    22 S   O    _O2_    23     1.23052   122.28048  -147.85874
   24    20 S   CT   _CB2    32     1.53366   111.40389   122.17496
   25    24 S   HC   HB21    33     1.09456   109.70370    55.95214
   26    24 S   HC   HB22    34     1.09464   109.98175   174.74890
   27    22 S   N    _N3_    24     1.38329   113.65703    39.59068
   28    27 S   H    _HN3    25     1.01602   119.57217    -3.40893
   29    24 S   S    _SG2    35     1.82984   111.21272   -66.15573
   30    27 S   CT   _CA3    26     1.45290   123.18351   177.07745
   31    30 S   HC   HA31    27     1.09550   107.51284   -64.35115
   32    30 S   HC   HA32    28     1.09557   107.97373    52.07678
   33    29 S   CT   _C12    36     1.88414   101.49643   160.24722
   34    30 S   CO3  _C3_    29     1.52952   114.09904   174.06836
   35    34 S   O2Z  _O31    30     1.26374   116.06200    -0.79254
   36    34 S   O2Z  _O32    31     1.26429   114.41214   179.26885
   37    33 S   CM   _C5_    37     1.52066   104.80712   176.27164
   38    37 S   CM   _C4_    38     1.34240   121.46184   -94.79853
   39    38 S   HC   _H16    39     1.08447   123.35389  -178.69359
   40    37 S   CO4  _C6_    53     1.47515   120.37824    89.47941
   41    40 S   O    _O33    54     1.22421   123.05540  -145.09626
   42    38 S   NE   _N11    40     1.37112   123.38667    -0.65551
   43    42 S   H    _H27    41     1.01541   117.23596   174.24970
   44    40 S   OS   _O14    55     1.35943   114.19591    35.34989
   45    42 S   CT   _C11    42     1.45763   122.90948     3.06516
   46    45 S   HC   _H23    43     1.09663   107.77567    90.00306
   47    44 S   CT   _C9_    56     1.44152   119.66403     6.73083
   48    47 S   HC   _H20    57     1.09478   107.26498  -172.42156
   49    47 S   HC   _H21    58     1.09513   109.07720    71.43241
   50    33 S   CT   _C10    44     1.57110   110.36696    58.41409
   51    50 S   HC   _H22    45     1.09680   110.40086   -53.92523
   52    45 S   CT   _C13    49     1.52682   109.87689  -153.72155
   53    52 S   HC   _H24    50     1.09518   112.09844    56.18126
   54    52 S   HC   _H25    51     1.09589   110.37636   -62.89201
   55    52 S   HC   _H26    52     1.09475   110.85987   177.61895
   56    33 S   CT   _C8_    59     1.54713   107.80556   -65.80694
   57    56 S   HC   _H18    60     1.09583   111.65010   102.80807
   58    56 S   HC   _H19    61     1.09848   110.88688   -15.20203
   59    50 S   CO4  _C7_    46     1.52482   110.70716  -169.92530
   60    59 S   O    _O13    47     1.22791   123.04063   109.98042
   61    59 S   HC   _H17    48     1.10320   116.63420   -68.52164
  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
  21   2   1   1  15  11   4   8   2  10   4   6  11   7   6   4
   3  11   5   4   2   1   1   3   1   1   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    50    56    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    50    51    59    40    47    56    57    58  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    46    50    51    59    60    61    52    40    41    44    47    48    49    56    57    58  
   35    36  
   36  
    0  
   38    39    42    43    45    50    51    59    40    41    44    47    56    57    58  
   39    42    43    45    46    50    52    40    41    44    56  
   42    43    45    40  
   41    44    47    48    49    56    42    50  
   44    47  
   43    45    46    50    51    59    52    53    54    55  
   45    46    50    52  
   47    48    49    56    57    58  
   46    50    51    59    60    61    52    53    54    55    56  
   50    51    59    52    53    54    55  
   48    49    56    57    58    50  
   49    56    57    58  
   56    57    58  
   51    59    60    61    52    53    54    55    56    57    58  
   59    60    61    52    56  
   53    54    55    59  
   54    55  
   55  
    0  
   57    58    59  
   58  
    0  
   60    61  
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   43   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   61   2.4200   0.0150   0.000000   1.3810   1.2100   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   222.000  1.810
   33    37   317.000  1.510
   33    50   268.000  1.529
   33    56   268.000  1.529
   37    38   549.000  1.340
   37    40   320.000  1.462
   38    39   340.000  1.080
   38    42   425.000  1.378
   42    43   434.000  1.010
   42    45   382.000  1.448
   45    46   340.000  1.090
   45    50   268.000  1.529
   45    52   268.000  1.529
   50    51   340.000  1.090
   50    59   317.000  1.522
   59    60   570.000  1.229
   59    61   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   40    41   570.000  1.229
   40    44   214.000  1.327
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   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    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    50    75.00000  111.63000
   29    33    56    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  116.34900
   33    50    45    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    59    63.00000  111.10000
   33    56    47    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    58    37.50000  110.70000
   37    38    39    35.00000  120.00000
   37    38    42    70.00000  124.03900
   37    40    41    80.00000  123.72100
   37    40    44    90.00000  111.29400
   38    42    43    35.00000  114.50000
   38    42    45    50.00000  121.00000
   42    38    39    50.00000  112.30800
   42    45    46    35.00000  109.50000
   42    45    50    80.00000  111.61500
   42    45    52    80.00000  111.61500
   45    42    43    35.00000  112.50000
   45    50    51    37.50000  110.70000
   45    50    59    63.00000  111.10000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    55    37.50000  110.70000
   50    33    37    70.00000  112.02700
   50    45    46    37.50000  110.70000
   50    59    60    80.00000  120.40000
   50    59    61    35.00000  115.00000
   59    50    51    35.00000  109.50000
   61    59    60    35.00000  123.00000
   52    45    46    37.50000  110.70000
   52    45    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   40    37    38    65.00000  118.96000
   40    44    47    83.00000  116.90000
   44    40    41    83.00000  123.40000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    56    50.00000  109.50000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   49    47    48    33.00000  107.80000
   56    33    37    70.00000  112.02700
   56    33    50    58.35000  112.70000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   58    56    57    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   0.01700  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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    50    45   0.44750  1.0 1.0
   29    33    50    45  -0.17800 -1.0 2.0
   29    33    50    45   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    59   0.56750  1.0 1.0
   29    33    50    59  -0.07550 -1.0 2.0
   29    33    50    59   0.20000  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    58   0.15000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    40    41  -0.64400  1.0 1.0
   33    37    40    41   0.26850 -1.0 2.0
   33    37    40    44  -0.15000  1.0 1.0
   33    37    40    44   0.89550 -1.0 2.0
   33    37    40    44  -0.06900  1.0 3.0
   33    50    59    60   0.30150 -1.0 2.0
   33    50    59    61   0.74550  1.0 1.0
   33    50    59    61  -0.00500 -1.0 2.0
   37    33    50    45   0.34400  1.0 1.0
   37    33    50    45   0.09450 -1.0 2.0
   37    33    50    45   0.11100  1.0 3.0
   37    33    50    51   0.15000  1.0 3.0
   37    33    50    59  -0.98800  1.0 1.0
   37    33    50    59   0.48800 -1.0 2.0
   37    33    50    59   0.76800  1.0 3.0
   37    33    56    47   0.34400  1.0 1.0
   37    33    56    47   0.09450 -1.0 2.0
   37    33    56    47   0.11100  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    58   0.15000  1.0 3.0
   37    38    42    43   1.00000 -1.0 2.0
   37    38   -42    45  -0.54700  1.0 1.0
   37    38   -42    45   1.23000 -1.0 2.0
   37    40   -44    47   2.00000 -1.0 2.0
   38    37    40    41   1.00000 -1.0 2.0
   38    37    40    44  -0.56150  1.0 1.0
   38    37    40    44   2.19150 -1.0 2.0
   38    42    45    46   0.00000  1.0 1.0
   38    42    45    50   0.25450  1.0 1.0
   38    42    45    50  -0.61700 -1.0 2.0
   38    42    45    50  -0.23550  1.0 3.0
   38    42    45    52   0.25450  1.0 1.0
   38    42    45    52  -0.61700 -1.0 2.0
   38    42    45    52  -0.23550  1.0 3.0
   39    38    42    43   1.00000 -1.0 2.0
   39    38    42    45   0.00000  1.0 1.0
   42    45   -50    33   1.26750  1.0 1.0
   42    45   -50    33  -0.00950 -1.0 2.0
   42    45   -50    33   0.30600  1.0 3.0
   42    45    50    51   0.22950  1.0 3.0
   42    45    50    59  -2.10200  1.0 1.0
   42    45    50    59  -0.31600 -1.0 2.0
   42    45    50    59   0.13050  1.0 3.0
   42    45    52    53   0.22950  1.0 3.0
   42    45    52    54   0.22950  1.0 3.0
   42    45    52    55   0.22950  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    50   0.00000  1.0 1.0
   43    42    45    52   0.00000  1.0 1.0
   45    50    59    60   0.30150 -1.0 2.0
   45    50    59    61   0.74550  1.0 1.0
   45    50    59    61  -0.00500 -1.0 2.0
   46    45    50    33   0.15000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    59  -0.11250  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   46    45    52    55   0.15000  1.0 3.0
   50    33   -37    38   0.09850  1.0 1.0
   50    33   -37    38   0.15250 -1.0 2.0
   50    33   -37    38  -0.50650  1.0 3.0
   50    33    37    40   0.09700  1.0 1.0
   50    33    37    40   0.15600 -1.0 2.0
   50    33    37    40  -0.50800  1.0 3.0
   50    33    56    47   0.56750  1.0 1.0
   50    33    56    47  -0.07550 -1.0 2.0
   50    33    56    47   0.20000  1.0 3.0
   50    33    56    57   0.15000  1.0 3.0
   50    33    56    58   0.15000  1.0 3.0
   50    45    52    53   0.15000  1.0 3.0
   50    45    52    54   0.15000  1.0 3.0
   50    45    52    55   0.15000  1.0 3.0
   51    50    59    60   0.00000  1.0 1.0
   51    50    59    61   0.00000  1.0 1.0
   52    45    50    33   0.56750  1.0 1.0
   52    45    50    33  -0.07550 -1.0 2.0
   52    45    50    33   0.20000  1.0 3.0
   52    45    50    51   0.15000  1.0 3.0
   52    45    50    59  -0.95700  1.0 1.0
   52    45    50    59  -0.18200 -1.0 2.0
   52    45    50    59   0.29450  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    42   7.00000 -1.0 2.0
   40    44    47    48   0.08050  1.0 3.0
   40    44    47    49   0.08050  1.0 3.0
   40    44    47    56  -0.25900  1.0 1.0
   40    44    47    56  -0.47000 -1.0 2.0
   40    44    47    56   0.11750  1.0 3.0
   41    40    44    47   3.00000 -1.0 2.0
   44    47   -56    33   0.62750  1.0 1.0
   44    47   -56    33  -0.30950 -1.0 2.0
   44    47   -56    33   0.27300  1.0 3.0
   44    47    56    57   0.23400  1.0 3.0
   44    47    56    58   0.23400  1.0 3.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   49    47    56    33   0.15000  1.0 3.0
   49    47    56    57   0.15000  1.0 3.0
   49    47    56    58   0.15000  1.0 3.0
   56    33    37    38   0.09850  1.0 1.0
   56    33    37    38   0.15250 -1.0 2.0
   56    33    37    38  -0.50650  1.0 3.0
   56    33   -37    40   0.09700  1.0 1.0
   56    33   -37    40   0.15600 -1.0 2.0
   56    33   -37    40  -0.50800  1.0 3.0
   56    33    50    45   0.56750  1.0 1.0
   56    33    50    45  -0.07550 -1.0 2.0
   56    33    50    45   0.20000  1.0 3.0
   56    33    50    51   0.15000  1.0 3.0
   56    33    50    59  -0.95700  1.0 1.0
   56    33    50    59  -0.18200 -1.0 2.0
   56    33    50    59   0.29450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   43    38    42    45   1.00000 -1.0 2.0
   50    61    59    60  10.50000 -1.0 2.0
   37    44    40    41  10.50000 -1.0 2.0
END
