* LIGAND DATABASE FILE (OPLS2005)
*
001      59    61    114    183     338
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02043   106.12221   -24.37349
    3     1 S   H    _H1_     3     1.02124    62.16806    78.64952
    4     1 S   H    _H2_     4     1.02081    50.13784  -125.51555
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C12    36     1.86785    96.72809   161.86319
   34    33 S   Cl   CL19    37     1.78668   104.59695    47.27267
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C10    38     1.56212   115.04953   -80.03037
   39    38 S   Cl   CL17    39     1.75542   115.20351    57.85133
   40    38 S   CM   _C4_    40     1.52405    98.70453   -65.58574
   41    40 S   Cl   CL15    41     1.69332   124.41250   148.33043
   42    40 S   CM   _C5_    42     1.33922   107.38344   -35.77575
   43    42 S   Cl   CL16    43     1.69379   127.98425  -175.83778
   44    33 S   CT   _C11    44     1.56223   115.02739   174.61981
   45    44 S   Cl   CL18    45     1.75488   115.25915   -57.91212
   46    44 S   CT   _C9_    46     1.57818   104.84488   172.99089
   47    46 S   HC   _H25    47     1.10218   108.57993  -147.11994
   48    46 S   CT   _C7_    48     1.53304   117.37770    94.19400
   49    48 S   HC   _H22    49     1.09383   114.20496   -61.42676
   50    48 S   HC   _H23    50     1.09502   109.37735    57.27631
   51    38 S   CT   _C8_    58     1.57758   104.89740  -173.00650
   52    51 S   HC   _H24    59     1.10190   108.61721   147.10264
   53    48 S   OS   _O34    51     1.42834   110.09097   172.51885
   54    53 S   SZ   _S14    52     1.61108   115.47770    96.32408
   55    54 S   OZ   _O10    53     1.50043   107.24709   172.18930
   56    54 S   OS   _O33    54     1.60950    98.17163   -76.75561
   57    56 S   CT   _C6_    55     1.42885   115.53647    76.80934
   58    57 S   HC   _H20    56     1.09515   105.32255   145.83964
   59    57 S   HC   _H21    57     1.09323   111.28510    31.25487
  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
  15   8   2   1   1  16   8   9   4   7   3  10   4  12   7   9
   4   3   7   4   4   5   2   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    44    45    46    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    47    48    57    51    52  
   38    39    40    42    44    45    46    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    48    56    57    58    59    51    52  
   40    41    42    44    46    57    51    52  
   41    42    43    44    45    46    57    51    52  
   42    43    44    51  
   43    44    45    46    47    48    51  
   44    45    46  
   45    46    47    48    49    50    53    57    51    52  
   46    47    48    51  
   47    48    49    50    53    54    56    57    58    59    51    52  
   48    49    50    53    57    51    52  
   49    50    53    54    55    56    57    51    52  
   50    53    54    51  
   53    54    51  
   52    53    54    56    57    58    59  
   56    57    58    59  
   54    55    56    57  
   55    56    57    58    59  
   56    57  
   57    58    59  
   58    59  
   59  
    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  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   40   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   42   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   44   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.437500   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5600   0.3950   0.890000   2.0080   1.7800   0.025682759  -1.666211680
   55   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   56   2.9000   0.1400  -0.437500   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   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    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   245.000  1.781
   33    38   268.000  1.529
   33    44   268.000  1.529
   38    39   245.000  1.781
   38    40   317.000  1.510
   38    51   268.000  1.529
   40    41   300.000  1.725
   40    42   549.000  1.340
   42    43   300.000  1.725
   42    44   317.000  1.510
   44    45   245.000  1.781
   44    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   320.000  1.410
   53    54   295.000  1.710
   54    55   700.000  1.530
   54    56   295.000  1.710
   56    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    51   268.000  1.529
   51    52   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    85.00000  110.65400
   29    33    38    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    69.00000  109.80000
   33    38    40    70.00000  112.02700
   33    38    51    58.35000  112.70000
   33    44    42    70.00000  112.02700
   33    44    45    69.00000  109.80000
   33    44    46    58.35000  112.70000
   38    33    34    69.00000  109.80000
   38    40    41    75.00000  111.02000
   38    40    42    70.00000  124.00000
   38    51    46    58.35000  112.70000
   38    51    57    58.35000  112.70000
   38    51    52    37.50000  110.70000
   40    38    39    75.00000  111.90500
   40    42    43    75.00000  121.50000
   40    42    44    70.00000  124.00000
   42    40    41    75.00000  121.50000
   42    44    45    75.00000  111.90500
   42    44    46    70.00000  112.02700
   44    33    34    69.00000  109.80000
   44    33    38    58.35000  112.70000
   44    42    43    75.00000  111.02000
   44    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    46    51    58.35000  112.70000
   46    44    45    69.00000  109.80000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    53    50.00000  109.50000
   46    51    57    58.35000  112.70000
   46    51    52    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    53    54   100.00000  113.63300
   50    48    49    33.00000  107.80000
   53    48    49    35.00000  109.50000
   53    48    50    35.00000  109.50000
   53    54    55   130.00000  108.94000
   53    54    56   130.00000  109.00000
   54    56    57   100.00000  113.63300
   56    54    55   130.00000  108.94000
   56    57    58    35.00000  109.50000
   56    57    59    35.00000  109.50000
   56    57    51    50.00000  109.50000
   57    51    52    37.50000  110.70000
   59    57    58    33.00000  107.80000
   51    38    39    69.00000  109.80000
   51    38    40    70.00000  112.02700
   51    46    47    37.50000  110.70000
   51    46    48    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    51   0.44750  1.0 1.0
   29    33    38    51  -0.17800 -1.0 2.0
   29    33    38    51   0.20200  1.0 3.0
   29    33    44    42   0.56750  1.0 1.0
   29    33    44    42  -0.07550 -1.0 2.0
   29    33    44    42   0.20000  1.0 3.0
   29    33    44    45   0.56750  1.0 1.0
   29    33    44    45  -0.07550 -1.0 2.0
   29    33    44    45   0.20000  1.0 3.0
   29    33    44    46   0.44750  1.0 1.0
   29    33    44    46  -0.17800 -1.0 2.0
   29    33    44    46   0.20200  1.0 3.0
   33    38    40    41   0.09700  1.0 1.0
   33    38    40    41   0.15600 -1.0 2.0
   33    38    40    41  -0.50800  1.0 3.0
   33    38   -40    42   0.09850  1.0 1.0
   33    38   -40    42   0.15250 -1.0 2.0
   33    38   -40    42  -0.50650  1.0 3.0
   33    38   -51    46   0.56750  1.0 1.0
   33    38   -51    46  -0.07550 -1.0 2.0
   33    38   -51    46   0.20000  1.0 3.0
   33    38    51    57   0.56750  1.0 1.0
   33    38    51    57  -0.07550 -1.0 2.0
   33    38    51    57   0.20000  1.0 3.0
   33    38    51    52   0.15000  1.0 3.0
   33    44    46    47   0.15000  1.0 3.0
   33    44    46    48   0.56750  1.0 1.0
   33    44    46    48  -0.07550 -1.0 2.0
   33    44    46    48   0.20000  1.0 3.0
   33    44   -46    51   0.56750  1.0 1.0
   33    44   -46    51  -0.07550 -1.0 2.0
   33    44   -46    51   0.20000  1.0 3.0
   34    33    38    39   0.22500  1.0 1.0
   34    33    38    40   0.56750  1.0 1.0
   34    33    38    40  -0.07550 -1.0 2.0
   34    33    38    40   0.20000  1.0 3.0
   34    33    38    51   0.35600  1.0 1.0
   34    33    38    51  -0.14650 -1.0 2.0
   34    33    38    51   0.33350  1.0 3.0
   34    33    44    42   0.56750  1.0 1.0
   34    33    44    42  -0.07550 -1.0 2.0
   34    33    44    42   0.20000  1.0 3.0
   34    33    44    45   0.22500  1.0 1.0
   34    33    44    46   0.35600  1.0 1.0
   34    33    44    46  -0.14650 -1.0 2.0
   34    33    44    46   0.33350  1.0 3.0
   38    33   -44    42   0.34400  1.0 1.0
   38    33   -44    42   0.09450 -1.0 2.0
   38    33   -44    42   0.11100  1.0 3.0
   38    33    44    45   0.35600  1.0 1.0
   38    33    44    45  -0.14650 -1.0 2.0
   38    33    44    45   0.33350  1.0 3.0
   38    33   -44    46   0.56750  1.0 1.0
   38    33   -44    46  -0.07550 -1.0 2.0
   38    33   -44    46   0.20000  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   0.09700  1.0 1.0
   39    38    40    41   0.15600 -1.0 2.0
   39    38    40    41  -0.50800  1.0 3.0
   39    38    40    42   0.09700  1.0 1.0
   39    38    40    42   0.15600 -1.0 2.0
   39    38    40    42  -0.50800  1.0 3.0
   39    38    51    46   0.35600  1.0 1.0
   39    38    51    46  -0.14650 -1.0 2.0
   39    38    51    46   0.33350  1.0 3.0
   39    38    51    57   0.35600  1.0 1.0
   39    38    51    57  -0.14650 -1.0 2.0
   39    38    51    57   0.33350  1.0 3.0
   39    38    51    52   0.27000  1.0 3.0
   40    38    51    46   0.34400  1.0 1.0
   40    38    51    46   0.09450 -1.0 2.0
   40    38    51    46   0.11100  1.0 3.0
   40    38    51    57   0.34400  1.0 1.0
   40    38    51    57   0.09450 -1.0 2.0
   40    38    51    57   0.11100  1.0 3.0
   40    38    51    52   0.15000  1.0 3.0
   40    42   -44    33   0.09850  1.0 1.0
   40    42   -44    33   0.15250 -1.0 2.0
   40    42   -44    33  -0.50650  1.0 3.0
   40    42    44    45   0.09700  1.0 1.0
   40    42    44    45   0.15600 -1.0 2.0
   40    42    44    45  -0.50800  1.0 3.0
   40    42   -44    46   0.09850  1.0 1.0
   40    42   -44    46   0.15250 -1.0 2.0
   40    42   -44    46  -0.50650  1.0 3.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44    46    47   0.15000  1.0 3.0
   42    44    46    48   0.34400  1.0 1.0
   42    44    46    48   0.09450 -1.0 2.0
   42    44    46    48   0.11100  1.0 3.0
   42    44    46    51   0.34400  1.0 1.0
   42    44    46    51   0.09450 -1.0 2.0
   42    44    46    51   0.11100  1.0 3.0
   43    42    44    33   0.09700  1.0 1.0
   43    42    44    33   0.15600 -1.0 2.0
   43    42    44    33  -0.50800  1.0 3.0
   43    42    44    45   0.09700  1.0 1.0
   43    42    44    45   0.15600 -1.0 2.0
   43    42    44    45  -0.50800  1.0 3.0
   43    42    44    46   0.09700  1.0 1.0
   43    42    44    46   0.15600 -1.0 2.0
   43    42    44    46  -0.50800  1.0 3.0
   44    33    38    39   0.35600  1.0 1.0
   44    33    38    39  -0.14650 -1.0 2.0
   44    33    38    39   0.33350  1.0 3.0
   44    33   -38    40   0.34400  1.0 1.0
   44    33   -38    40   0.09450 -1.0 2.0
   44    33   -38    40   0.11100  1.0 3.0
   44    33   -38    51   0.56750  1.0 1.0
   44    33   -38    51  -0.07550 -1.0 2.0
   44    33   -38    51   0.20000  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   44    46    48    53   0.62750  1.0 1.0
   44    46    48    53  -0.30950 -1.0 2.0
   44    46    48    53   0.27300  1.0 3.0
   44    46   -51    38   0.56750  1.0 1.0
   44    46   -51    38  -0.07550 -1.0 2.0
   44    46   -51    38   0.20000  1.0 3.0
   44    46    51    57   0.56750  1.0 1.0
   44    46    51    57  -0.07550 -1.0 2.0
   44    46    51    57   0.20000  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   45    44    46    47   0.27000  1.0 3.0
   45    44    46    48   0.35600  1.0 1.0
   45    44    46    48  -0.14650 -1.0 2.0
   45    44    46    48   0.33350  1.0 3.0
   45    44    46    51   0.35600  1.0 1.0
   45    44    46    51  -0.14650 -1.0 2.0
   45    44    46    51   0.33350  1.0 3.0
   46    48    53    54   0.37500  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    53   0.23400  1.0 3.0
   47    46    51    38   0.15000  1.0 3.0
   47    46    51    57   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   48    46    51    38   0.56750  1.0 1.0
   48    46    51    38  -0.07550 -1.0 2.0
   48    46    51    38   0.20000  1.0 3.0
   48    46    51    57   0.56750  1.0 1.0
   48    46    51    57  -0.07550 -1.0 2.0
   48    46    51    57   0.20000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    53    54    55   0.00000  1.0 1.0
   48    53    54    56   0.00000  1.0 1.0
   49    48    53    54   0.37500  1.0 3.0
   50    48    53    54   0.37500  1.0 3.0
   53    54    56    57   0.00000  1.0 1.0
   54    56    57    58   0.37500  1.0 3.0
   54    56    57    59   0.37500  1.0 3.0
   54    56    57    51   0.37500  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   56    57    51    38   0.62750  1.0 1.0
   56    57    51    38  -0.30950 -1.0 2.0
   56    57    51    38   0.27300  1.0 3.0
   56    57    51    46   0.62750  1.0 1.0
   56    57    51    46  -0.30950 -1.0 2.0
   56    57    51    46   0.27300  1.0 3.0
   56    57    51    52   0.23400  1.0 3.0
   58    57    51    38   0.15000  1.0 3.0
   58    57    51    46   0.15000  1.0 3.0
   58    57    51    52   0.15000  1.0 3.0
   59    57    51    38   0.15000  1.0 3.0
   59    57    51    46   0.15000  1.0 3.0
   59    57    51    52   0.15000  1.0 3.0
   51    38    40    41   0.09700  1.0 1.0
   51    38    40    41   0.15600 -1.0 2.0
   51    38    40    41  -0.50800  1.0 3.0
   51    38   -40    42   0.09850  1.0 1.0
   51    38   -40    42   0.15250 -1.0 2.0
   51    38   -40    42  -0.50650  1.0 3.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    53   0.62750  1.0 1.0
   51    46    48    53  -0.30950 -1.0 2.0
   51    46    48    53   0.27300  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
   37    30    35    36  10.50000 -1.0 2.0
   38    41    40    42   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
END
