* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57     99    152     293
    1     0 S   NP   _N1_     1    27.99973    94.85963   -23.20952
    2     1 S   H    _HN1     2     1.02957    87.81898    -8.35766
    3     1 S   H    _H1_     3     1.02835    24.67572   133.41106
    4     1 S   H    _H2_     4     1.02776   100.59531  -116.61280
    5     1 S   CT   _CA1     5     1.50130   133.64399   108.09231
    6     5 S   HC   _HA1     6     1.09574   105.21479    70.17734
    7     5 S   CO3  _C1_     7     1.53788   112.37323   -50.02444
    8     7 S   O2Z  _O11     8     1.26368   114.99296   -43.44715
    9     7 S   O2Z  _O12     9     1.26234   114.93426   135.65401
   10     5 S   CT   _CB1    10     1.53094   107.42365  -171.89000
   11    10 S   HC   HB11    11     1.09827   109.34778   -50.28865
   12    10 S   HC   HB12    12     1.09816   110.41832    66.27400
   13    10 S   CT   _CG1    13     1.53017   112.67091  -171.34830
   14    13 S   HC   HG11    14     1.09593   110.50403   -64.33090
   15    13 S   HC   HG12    15     1.09657   109.91388    54.87668
   16    13 S   C    _CD1    16     1.51837   112.30726   175.26343
   17    16 S   O    _OE1    17     1.22748   123.29427     0.77733
   18    16 S   N    _N2_    18     1.38556   111.71106  -179.25875
   19    18 S   H    _HN2    19     1.01556   119.02459     4.54717
   20    18 S   CT1  _CA2    20     1.45843   122.87074   178.11187
   21    20 S   HC   _HA2    21     1.09719   108.95245    24.29489
   22    20 S   C    _C2_    22     1.52907   106.91961   -92.89563
   23    22 S   O    _O2_    23     1.22989   122.99321   -27.39187
   24    20 S   CT   _CB2    32     1.53171   112.21879   147.49129
   25    24 S   HC   HB21    33     1.09536   109.92863    55.52599
   26    24 S   HC   HB22    34     1.09525   110.16152   174.45758
   27    22 S   N    _N3_    24     1.38479   112.63927   155.44977
   28    27 S   H    _HN3    25     1.01666   120.39184    -2.29900
   29    24 S   S    _SG2    35     1.82587   111.21909   -65.25551
   30    27 S   CT   _CA3    26     1.45363   122.40905   178.58625
   31    30 S   HC   HA31    27     1.09570   107.78230   -56.04384
   32    30 S   HC   HA32    28     1.09564   107.62208    60.26780
   33    29 S   CT   _C10    36     1.84505    99.78114  -175.41234
   34    33 S   HC   _H4_    37     1.09585   106.19930    49.11103
   35    30 S   CO3  _C3_    29     1.52873   114.38398  -177.97194
   36    35 S   O2Z  _O31    30     1.26323   116.07056    -0.89043
   37    35 S   O2Z  _O32    31     1.26441   114.40097   179.08187
   38    33 S   CM   _C8_    38     1.52514   110.52780   -69.43180
   39    33 S   CT   _C11    52     1.53519   109.81878   166.56095
   40    39 S   HC   _H8_    53     1.09837   110.85296    55.05515
   41    39 S   HC   _H9_    54     1.09896   109.10980   171.70573
   42    38 S   CM   _C7_    39     1.34559   122.47525   -63.06603
   43    42 S   HC   _H6_    40     1.08477   122.07061    -0.22294
   44    39 S   CO3  _C12    55     1.53376   116.05362   -69.58505
   45    44 S   O2Z  _O36    56     1.26469   114.33801   152.16044
   46    44 S   O2Z  _O35    57     1.26175   116.29896   -28.91980
   47    42 S   CO4  _C6_    41     1.47994   121.67998   179.22671
   48    47 S   O    _O33    42     1.22697   121.06098   179.64946
   49    47 S   CM   _C5_    43     1.48292   117.90493    -0.71518
   50    49 S   CM   _C4_    44     1.33696   119.96721     1.38889
   51    50 S   HC   _H5_    45     1.08731   118.76926   179.96574
   52    49 S   OH   _O37    50     1.37801   118.60275  -178.85928
   53    52 S   HO   _H10    51     0.97451   106.79701    -0.11869
   54    38 S   CT   _C9_    46     1.51227   115.65180   117.18629
   55    54 S   HC   _H3_    47     1.09619   109.05367   -56.55068
   56    54 S   OH   _O34    48     1.42543   108.49688    60.87428
   57    56 S   HO   _H7_    49     0.97230   107.72308  -172.15245
  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   9   5   4   3
  15   7   2   1   1  15   7   4   3   9   4   2   1   1   7   3
   7   7   4   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    54    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    50    54    55    56    39    40    41    44    45    46  
   38    42    54    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    50    51    54    55    56    57    39    40    41    44  
   40    41    44    45    46    42    54  
   41    44    45    46  
   44    45    46  
   43    47    48    49    50    54    55    56    52  
   47    48    49    54  
   45    46  
   46  
    0  
   48    49    50    51    54    52    53  
   49    50    52  
   50    51    54    55    56    52    53  
   51    54    55    56    57    52    53  
   54    55    56    52  
   53    54  
    0  
   55    56    57  
   56    57  
   57  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   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    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   317.000  1.510
   33    39   268.000  1.529
   38    42   549.000  1.340
   38    54   317.000  1.510
   42    43   340.000  1.080
   42    47   320.000  1.462
   47    48   570.000  1.229
   47    49   320.000  1.462
   49    50   549.000  1.340
   49    52   510.000  1.338
   50    51   340.000  1.080
   50    54   317.000  1.510
   54    55   340.000  1.090
   54    56   320.000  1.410
   56    57   553.000  0.945
   52    53   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   656.000  1.250
   44    46   656.000  1.250
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  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    54    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    47    65.00000  118.96000
   38    54    50    70.00000  110.12100
   38    54    55    35.00000  109.50000
   38    54    56    90.00000  110.39200
   42    47    48    80.00000  123.72100
   42    47    49    65.00000  118.65900
   47    42    43    40.00000  117.72500
   47    49    50    65.00000  118.96000
   47    49    52    85.00000  116.28000
   49    47    48    80.00000  123.72100
   49    50    51    35.00000  120.00000
   49    50    54    70.00000  124.00000
   49    52    53    70.00000  107.45700
   50    54    55    35.00000  109.50000
   50    54    56    90.00000  110.39200
   54    38    42    70.00000  124.00000
   54    50    51    35.00000  117.00000
   54    56    57    55.00000  108.50000
   56    54    55    35.00000  109.50000
   52    49    50    80.00000  121.38400
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    44    45    70.00000  117.00000
   39    44    46    70.00000  117.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    54   0.30250  1.0 1.0
   29    33    38    54  -0.14950 -1.0 2.0
   29    33    38    54   0.36900  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    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   33    38    54    50   0.09700  1.0 1.0
   33    38    54    50   0.15600 -1.0 2.0
   33    38    54    50  -0.50800  1.0 3.0
   33    38    54    55   0.34800  1.0 3.0
   33    38    54    56   0.18000  1.0 1.0
   33    38    54    56   0.16450 -1.0 2.0
   33    38    54    56   0.04450  1.0 3.0
   33    39    44    45   0.41150 -1.0 2.0
   33    39    44    46   0.41150 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    54   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    44  -0.98800  1.0 1.0
   38    33    39    44   0.48800 -1.0 2.0
   38    33    39    44   0.76800  1.0 3.0
   38    42    47    48   1.00000 -1.0 2.0
   38    42    47    49  -1.18350  1.0 1.0
   38    42    47    49   1.45950 -1.0 2.0
   38    54    56    57  -0.07800  1.0 1.0
   38    54    56    57  -0.21500 -1.0 2.0
   38    54    56    57  -0.03150  1.0 3.0
   42    38    54    50  -0.28300  1.0 1.0
   42    38    54    50   0.26700 -1.0 2.0
   42    38    54    50  -0.63300  1.0 3.0
   42    38    54    55   0.00000  1.0 1.0
   42    38    54    56   0.67800  1.0 1.0
   42    38    54    56   0.47050 -1.0 2.0
   42    38    54    56  -0.62500  1.0 3.0
   42    47   -49    50  -1.18350  1.0 1.0
   42    47   -49    50   1.45950 -1.0 2.0
   42    47    49    52   1.50000 -1.0 2.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.93700 -1.0 2.0
   47    49    50    51   7.00000 -1.0 2.0
   47    49    50    54   7.00000 -1.0 2.0
   47    49    52    53   2.00000 -1.0 2.0
   48    47    49    50   1.00000 -1.0 2.0
   48    47    49    52  -0.11900  1.0 1.0
   48    47    49    52   0.76850 -1.0 2.0
   48    47    49    52   0.14100  1.0 3.0
   49    50   -54    38  -0.28300  1.0 1.0
   49    50   -54    38   0.26700 -1.0 2.0
   49    50   -54    38  -0.63300  1.0 3.0
   49    50    54    55   0.00000  1.0 1.0
   49    50    54    56   0.67800  1.0 1.0
   49    50    54    56   0.47050 -1.0 2.0
   49    50    54    56  -0.62500  1.0 3.0
   50    49    52    53  -0.66100  1.0 1.0
   50    49    52    53   1.20850 -1.0 2.0
   50    49    52    53  -0.36000  1.0 3.0
   50    54    56    57  -0.07800  1.0 1.0
   50    54    56    57  -0.21500 -1.0 2.0
   50    54    56    57  -0.03150  1.0 3.0
   51    50    54    38   0.00000  1.0 1.0
   51    50    54    55   0.33100  1.0 3.0
   51    50    54    56   0.00000  1.0 1.0
   54    38    42    43   7.00000 -1.0 2.0
   54    38   -42    47   7.00000 -1.0 2.0
   55    54    56    57   0.19450  1.0 3.0
   52    49    50    51   7.00000 -1.0 2.0
   52    49    50    54   7.00000 -1.0 2.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    54   0.46850  1.0 1.0
   39    33    38    54   0.08550 -1.0 2.0
   39    33    38    54   0.09800  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    46   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
   33    54    38    42   1.10000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   42    49    47    48  10.50000 -1.0 2.0
   47    52    49    50   1.10000 -1.0 2.0
   54    51    50    49   1.10000 -1.0 2.0
   45    39    44    46  10.50000 -1.0 2.0
END
