* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    108    164     322
    1     0 S   NP   _N1_     1    28.77587    96.65573   -22.94853
    2     1 S   H    _HN1     2     1.02795   104.61785   -96.17237
    3     1 S   H    _H1_     3     1.02947    69.71254     8.35889
    4     1 S   H    _H2_     4     1.02830    40.88375   163.26227
    5     1 S   CT   _CA1     5     1.50118   140.30592   106.24640
    6     5 S   HC   _HA1     6     1.09573   105.17277    95.18720
    7     5 S   CO3  _C1_     7     1.53767   112.48376   -25.04770
    8     7 S   O2Z  _O11     8     1.26374   115.00041   -42.37817
    9     7 S   O2Z  _O12     9     1.26235   114.93685   136.69563
   10     5 S   CT   _CB1    10     1.53063   107.42250  -146.82227
   11    10 S   HC   HB11    11     1.09840   109.34325   -49.42740
   12    10 S   HC   HB12    12     1.09811   110.46944    67.17248
   13    10 S   CT   _CG1    13     1.53018   112.62826  -170.36542
   14    13 S   HC   HG11    14     1.09571   110.72595   -67.02714
   15    13 S   HC   HG12    15     1.09670   109.70418    52.22400
   16    13 S   C    _CD1    16     1.51803   112.02599   172.72126
   17    16 S   O    _OE1    17     1.22753   123.18493    11.80397
   18    16 S   N    _N2_    18     1.38640   111.80575  -168.24471
   19    18 S   H    _HN2    19     1.01576   119.02702     1.15775
   20    18 S   CT1  _CA2    20     1.46237   123.39196   176.73901
   21    20 S   HC   _HA2    21     1.09741   109.25256     7.36282
   22    20 S   C    _C2_    22     1.53715   108.99432  -108.10878
   23    22 S   O    _O2_    23     1.23080   122.22953  -150.45689
   24    20 S   CT   _CB2    32     1.53473   111.62305   129.29261
   25    24 S   HC   HB21    33     1.09529   109.52091    56.20484
   26    24 S   HC   HB22    34     1.09304   109.68653   174.79715
   27    22 S   N    _N3_    24     1.38307   113.92701    37.10288
   28    27 S   H    _HN3    25     1.01536   119.62037    -3.32272
   29    24 S   S    _SG2    35     1.83366   111.09145   -64.32747
   30    27 S   CT   _CA3    26     1.45280   123.27658   177.18242
   31    30 S   HC   HA31    27     1.09547   107.51858   -64.76354
   32    30 S   HC   HA32    28     1.09556   107.99754    51.70193
   33    29 S   CT   _C9_    36     1.87792   101.98912  -171.89085
   34    30 S   CO3  _C3_    29     1.52971   114.02729   173.69821
   35    34 S   O2Z  _O31    30     1.26386   116.06793    -0.34321
   36    34 S   O2Z  _O32    31     1.26422   114.42375   179.71676
   37    33 S   CM   _C4_    37     1.51759   108.86452   -47.94476
   38    37 S   HC   _H6_    38     1.09138   115.96847   -52.21268
   39    33 S   CT   _C10    53     1.55378   105.97925  -165.48543
   40    39 S   HC   _H7_    54     1.09623   111.22695   -60.00573
   41    39 S   HC   _H8_    55     1.09414   110.95272  -179.45932
   42    37 S   CMA  _C5_    39     1.35077   126.53113   127.02942
   43    42 S   OM   _O40    40     1.26309   129.22390  -178.38553
   44    39 S   OS   _O33    56     1.42942   111.64025    61.66617
   45    42 S   CT   _C6_    41     1.53133   119.31171     2.64649
   46    45 S   HC   _H3_    42     1.09983   110.23983   139.06370
   47    44 S   P2   _P1_    57     1.63109   119.00616  -161.94696
   48    47 S   O2Z  _O36    58     1.51168   108.57079  -176.47986
   49    47 S   O2Z  _O34    59     1.51165   110.01302   -42.20068
   50    45 S   CT   _C7_    43     1.53677   114.44001    17.58968
   51    50 S   HC   _H4_    44     1.09712   110.05743  -166.76382
   52    45 S   OH   _O39    51     1.43348   109.04381  -103.48960
   53    52 S   HO   _H12    52     0.97385   106.30801   -44.11442
   54    47 S   OS   _O35    60     1.63106    99.14484    71.53972
   55    54 S   HO   _H9_    61     0.97886   115.95389    79.67605
   56    33 S   CT   _C8_    45     1.55633   108.14527    74.26496
   57    56 S   HC   _H5_    46     1.09567   110.58193   -37.92118
   58    50 S   OH   _O38    49     1.42647   110.42753    76.01940
   59    58 S   HO   _H11    50     0.97208   107.80396    53.78516
   60    56 S   OH   _O37    47     1.42985   111.21616    79.38873
   61    60 S   HO   _H10    48     0.97202   107.69144   177.20551
  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
