* LIGAND DATABASE FILE (OPLS2005)
*
001      64    65    119    177     343
    1     0 S   NP   _N1_     1    28.73348    94.81348   -21.24345
    2     1 S   H    _HN1     2     1.02839    32.51116   141.90697
    3     1 S   H    _H1_     3     1.02783    89.56629   -92.43309
    4     1 S   H    _H2_     4     1.02960    88.45343    15.90762
    5     1 S   CT   _CA1     5     1.50128   143.24362   139.05525
    6     5 S   HC   _HA1     6     1.09564   105.25817    60.88162
    7     5 S   CO3  _C1_     7     1.53860   112.34583   -59.46188
    8     7 S   O2Z  _O11     8     1.26370   115.00346   -43.08986
    9     7 S   O2Z  _O12     9     1.26234   114.99111   136.08393
   10     5 S   CT   _CB1    10     1.53112   107.43364   178.96372
   11    10 S   HC   HB11    11     1.09823   109.59361   -48.81227
   12    10 S   HC   HB12    12     1.09821   110.29439    67.81340
   13    10 S   CT   _CG1    13     1.53006   112.61443  -169.81841
   14    13 S   HC   HG11    14     1.09595   110.45146   -60.40632
   15    13 S   HC   HG12    15     1.09639   110.01135    58.81173
   16    13 S   C    _CD1    16     1.51824   112.30850   179.37662
   17    16 S   O    _OE1    17     1.22712   123.26520    -2.86266
   18    16 S   N    _N2_    18     1.38607   111.56901   176.92623
   19    18 S   H    _HN2    19     1.01570   119.03506     2.96154
   20    18 S   CT1  _CA2    20     1.46326   123.51585  -176.58035
   21    20 S   HC   _HA2    21     1.09725   109.43604    -5.81143
   22    20 S   C    _C2_    22     1.53416   108.62718  -121.68198
   23    22 S   O    _O2_    23     1.23021   122.20677  -146.45956
   24    20 S   CT   _CB2    32     1.53431   110.96954   116.00873
   25    24 S   HC   HB21    33     1.09583   109.44915    56.82824
   26    24 S   HC   HB22    34     1.09491   110.82040   175.61939
   27    22 S   N    _N3_    24     1.38502   113.44927    40.94396
   28    27 S   H    _HN3    25     1.01515   118.88582    -0.85203
   29    24 S   S    _SG2    35     1.82817   111.28260   -64.49755
   30    27 S   CT   _CA3    26     1.45462   123.62236   175.27988
   31    30 S   HC   HA31    27     1.09508   109.47220    19.68270
   32    30 S   HC   HA32    28     1.09502   107.06413   136.70450
   33    29 S   CT   _C10    36     1.84829    99.65706   150.17933
   34    33 S   HC   _H5_    37     1.09926   104.04803   -53.37384
   35    30 S   CO3  _C3_    29     1.52903   112.94995  -103.96693
   36    35 S   O2Z  _O31    30     1.26417   115.33275   -46.39568
   37    35 S   O2Z  _O32    31     1.26346   115.03160   134.51393
   38    33 S   CT   _C11    38     1.56467   115.55039    63.57245
   39    38 S   OM   _O33    39     1.32329   111.58682    54.82783
   40    38 S   HC   _H6_    40     1.10042   105.27618   -76.15881
   41    38 S   CM   _C12    41     1.51684   109.95559   171.33964
   42    41 S   HC   _H14    42     1.08915   117.05912   164.38210
   43    41 S   CM   _C13    43     1.34331   124.73938   -14.22968
   44    43 S   HC   _H15    44     1.08779   118.29403   179.55325
   45    43 S   CT   _C8_    45     1.50864   124.41552    -1.98386
   46    45 S   HC   _H3_    46     1.09666   107.25718  -131.35861
   47    33 S   CT   _C9_    47     1.54976   109.94402  -166.24354
   48    47 S   HC   _H4_    48     1.09458   109.89460    49.72943
   49    45 S   S    _S1_    51     1.84459   106.74186   113.32792
   50    47 S   OH   _O34    49     1.43386   111.82269   -66.56876
   51    50 S   HO   _H16    50     0.97544   107.13366   -38.09997
   52    49 S   CT   _C7_    52     1.82227    99.94872   163.95060
   53    52 S   HC   _H12    53     1.09307   109.39297    66.16336
   54    52 S   HC   _H13    54     1.09489   109.23112   -52.23169
   55    52 S   CT   _C6_    55     1.52881   109.77331  -173.06381
   56    55 S   HC   _H10    56     1.09755   110.39807   -57.78755
   57    55 S   HC   _H11    57     1.09843   109.67006    59.35196
   58    55 S   C3T  _C5_    58     1.50624   111.63278  -178.72344
   59    58 S   NN   _N4_    59     1.42509   117.92029   -74.27892
   60    58 S   CT   _C4_    61     1.49538   117.88026    77.27775
   61    60 S   HC   _H7_    62     1.09574   111.93164   176.01041
   62    60 S   HC   _H8_    63     1.09470   110.37939    56.07473
   63    60 S   HC   _H9_    64     1.09428   110.74368   -63.88154
   64    58 S   NN   _N5_    60     1.42594   117.45655  -133.25251
  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  10   5   4   3
  14   8   2   1   1  10   5   4   7   3   8   4  10   5   5   3
   8   1   1   9   5   4   9   5   4   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    47    48    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    47    48    50    51    49  
   38    39    40    41    45    47    48    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    48    50  
   40    41    42    43    47  
   41    42    43    47  
   42    43    44    45    46    47    49  
   43    44    45  
   44    45    46    47    48    50    49    52  
   45    46    47    49  
   46    47    48    50    51    49    52    53    54    55  
   47    48    50    49    52  
   48    50    51    49    52  
   50    51    49  
   52    53    54    55    56    57    58    50  
   51  
    0  
   53    54    55    56    57    58    59    64    60  
   54    55    56    57    58  
   55    56    57    58  
   56    57    58    59    64    60    61    62    63  
   57    58    59    64    60  
   58    59    64    60  
   59    64    60    61    62    63  
   64    60    61    62    63  
   61    62    63    64  
   62    63    64  
   63    64  
   64  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.245000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.2500   0.1700  -0.122500   1.8375   1.6250   0.005000000   0.000000000
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.2500   0.1700  -0.122500   1.8375   1.6250   0.005000000   0.000000000
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   268.000  1.529
   33    47   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   317.000  1.510
   41    42   340.000  1.080
   41    43   549.000  1.340
   43    44   340.000  1.080
   43    45   317.000  1.510
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   222.000  1.810
   47    48   340.000  1.090
   47    50   320.000  1.410
   50    51   553.000  0.945
   49    52   222.000  1.810
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   275.000  1.510
   58    59   255.000  1.500
   58    64   255.000  1.500
   58    60   275.000  1.510
   59    64   470.000  1.265
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.02700
   33    47    45    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    50    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    35.00000  117.00000
   38    41    43    70.00000  124.00000
   40    38    39    45.00000  125.66300
   41    38    39    85.00000  110.90400
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  120.00000
   41    43    45    70.00000  124.00000
   43    41    42    35.00000  120.00000
   43    45    46    35.00000  109.50000
   43    45    47    70.00000  112.02700
   43    45    49    75.00000  112.20000
   45    43    44    35.00000  117.00000
   45    47    48    37.50000  110.70000
   45    47    50    50.00000  109.50000
   45    49    52    62.00000   98.90000
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    50    51    55.00000  108.50000
   50    47    48    35.00000  109.50000
   49    45    46    35.00000  109.50000
   49    45    47    75.00000  111.63000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    75.00000  111.63000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    70.00000  112.37300
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    85.00000  105.04000
   55    58    64    85.00000  105.04000
   55    58    60    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    45.00000  109.38400
   58    55    57    45.00000  109.38400
   58    59    64    10.00000   60.00000
   58    64    59    10.00000   60.00000
   58    60    61    45.00000  109.38400
   58    60    62    45.00000  109.38400
   58    60    63    45.00000  109.38400
   64    58    59    10.00000   60.00000
   60    58    59    85.00000  105.04000
   60    58    64    85.00000  105.04000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    45   0.44750  1.0 1.0
   29    33    47    45  -0.17800 -1.0 2.0
   29    33    47    45   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    50   0.56750  1.0 1.0
   29    33    47    50  -0.07550 -1.0 2.0
   29    33    47    50   0.20000  1.0 3.0
   33    38    41    42   0.00000  1.0 1.0
   33    38    41    43   0.09850  1.0 1.0
   33    38    41    43   0.15250 -1.0 2.0
   33    38    41    43  -0.50650  1.0 3.0
   33    47    50    51  -0.11600  1.0 1.0
   33    47    50    51  -0.09450 -1.0 2.0
   33    47    50    51   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    47    45   0.15000  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    50   0.23400  1.0 3.0
   38    33    47    45   0.56750  1.0 1.0
   38    33    47    45  -0.07550 -1.0 2.0
   38    33    47    45   0.20000  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    50   0.86500  1.0 1.0
   38    33    47    50  -0.17500 -1.0 2.0
   38    33    47    50   0.20800  1.0 3.0
   38    41    43    44   7.00000 -1.0 2.0
   38    41   -43    45   7.00000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.39000  1.0 1.0
   39    38    41    43  -0.05800 -1.0 2.0
   39    38    41    43  -0.55150  1.0 3.0
   40    38    41    42   0.33100  1.0 3.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    45    46   0.00000  1.0 1.0
   41    43    45    47   0.09850  1.0 1.0
   41    43    45    47   0.15250 -1.0 2.0
   41    43    45    47  -0.50650  1.0 3.0
   41    43    45    49   0.42700  1.0 1.0
   41    43    45    49  -0.70350 -1.0 2.0
   41    43    45    49  -0.43150  1.0 3.0
   42    41    43    44   7.00000 -1.0 2.0
   42    41    43    45   7.00000 -1.0 2.0
   43    45   -47    33   0.34400  1.0 1.0
   43    45   -47    33   0.09450 -1.0 2.0
   43    45   -47    33   0.11100  1.0 3.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    50   1.05650  1.0 1.0
   43    45    47    50   0.15600 -1.0 2.0
   43    45    47    50   0.53150  1.0 3.0
   43    45    49    52  -0.62250  1.0 1.0
   43    45    49    52  -0.38450 -1.0 2.0
   43    45    49    52   0.81900  1.0 3.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    49   0.00000  1.0 1.0
   45    47    50    51  -0.11600  1.0 1.0
   45    47    50    51  -0.09450 -1.0 2.0
   45    47    50    51   0.21250  1.0 3.0
   45    49    52    53   0.32350  1.0 3.0
   45    49    52    54   0.32350  1.0 3.0
   45    49    52    55   0.01700  1.0 1.0
   45    49    52    55  -0.23550 -1.0 2.0
   45    49    52    55   0.21350  1.0 3.0
   46    45    47    33   0.15000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    50   0.23400  1.0 3.0
   46    45    49    52   0.32350  1.0 3.0
   47    33    38    39   0.62750  1.0 1.0
   47    33    38    39  -0.30950 -1.0 2.0
   47    33    38    39   0.27300  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41   0.34400  1.0 1.0
   47    33   -38    41   0.09450 -1.0 2.0
   47    33   -38    41   0.11100  1.0 3.0
   47    45    49    52   0.01700  1.0 1.0
   47    45    49    52  -0.23550 -1.0 2.0
   47    45    49    52   0.21350  1.0 3.0
   48    47    50    51   0.19450  1.0 3.0
   49    45    47    33   0.44750  1.0 1.0
   49    45    47    33  -0.17800 -1.0 2.0
   49    45    47    33   0.20200  1.0 3.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    50   0.56750  1.0 1.0
   49    45    47    50  -0.07550 -1.0 2.0
   49    45    47    50   0.20000  1.0 3.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.15000  1.0 3.0
   49    52    55    58   0.44750  1.0 1.0
   49    52    55    58  -0.17800 -1.0 2.0
   49    52    55    58   0.20200  1.0 3.0
   52    55    58    59   0.56750  1.0 1.0
   52    55    58    59  -0.07550 -1.0 2.0
   52    55    58    59   0.20000  1.0 3.0
   52    55    58    64   0.56750  1.0 1.0
   52    55    58    64  -0.07550 -1.0 2.0
   52    55    58    64   0.20000  1.0 3.0
   52    55    58    60   0.56750  1.0 1.0
   52    55    58    60  -0.07550 -1.0 2.0
   52    55    58    60   0.20000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58   -59    64   0.00000  1.0 1.0
   55    58   -64    59   0.00000  1.0 1.0
   55    58    60    61   0.15000  1.0 3.0
   55    58    60    62   0.15000  1.0 3.0
   55    58    60    63   0.15000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    64   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    64   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   64    58    60    61   0.15000  1.0 3.0
   64    58    60    62   0.15000  1.0 3.0
   64    58    60    63   0.15000  1.0 3.0
   60    58   -59    64   0.00000  1.0 1.0
   60    58   -64    59   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
   36    30    35    37  10.50000 -1.0 2.0
   38    42    41    43   1.10000 -1.0 2.0
   45    44    43    41   1.10000 -1.0 2.0
END
