* LIGAND DATABASE FILE (OPLS2005)
*
001      65    65    119    167     342
    1     0 S   NP   _N1_     1    28.74331    95.19070   -24.56205
    2     1 S   H    _HN1     2     1.02788   112.26716   -95.62621
    3     1 S   H    _H1_     3     1.02949    78.47611     9.67977
    4     1 S   H    _H2_     4     1.02828    29.27239   177.33633
    5     1 S   CT   _CA1     5     1.50116   128.40553   116.68269
    6     5 S   HC   _HA1     6     1.09572   105.18999    86.37547
    7     5 S   CO3  _C1_     7     1.53787   112.45727   -33.86455
    8     7 S   O2Z  _O11     8     1.26375   115.00686   -42.63493
    9     7 S   O2Z  _O12     9     1.26239   114.94648   136.47157
   10     5 S   CT   _CB1    10     1.53074   107.41712  -155.63613
   11    10 S   HC   HB11    11     1.09835   109.37705   -49.55465
   12    10 S   HC   HB12    12     1.09812   110.44935    67.05424
   13    10 S   CT   _CG1    13     1.52996   112.60950  -170.51513
   14    13 S   HC   HG11    14     1.09579   110.65728   -65.82330
   15    13 S   HC   HG12    15     1.09670   109.76683    53.41528
   16    13 S   C    _CD1    16     1.51802   112.17104   173.88458
   17    16 S   O    _OE1    17     1.22738   123.26574     8.13832
   18    16 S   N    _N2_    18     1.38655   111.71568  -171.97126
   19    18 S   H    _HN2    19     1.01580   118.94615     1.63984
   20    18 S   CT1  _CA2    20     1.46197   123.37855   177.34996
   21    20 S   HC   _HA2    21     1.09737   109.34249     4.24307
   22    20 S   C    _C2_    22     1.53581   108.69170  -111.27209
   23    22 S   O    _O2_    23     1.23068   122.24744  -148.02955
   24    20 S   CT   _CB2    32     1.53370   111.63273   126.24369
   25    24 S   HC   HB21    33     1.09496   109.84284    56.60763
   26    24 S   HC   HB22    34     1.09509   110.06864   175.67184
   27    22 S   N    _N3_    24     1.38315   113.76717    39.41223
   28    27 S   H    _HN3    25     1.01574   119.61442    -3.25552
   29    24 S   S    _SG2    35     1.82713   111.50809   -64.34506
   30    27 S   CT   _CA3    26     1.45287   123.22587   177.16994
   31    30 S   HC   HA31    27     1.09548   107.50939   -64.68061
   32    30 S   HC   HA32    28     1.09556   107.98823    51.76191
   33    29 S   CT   _C6_    36     1.84106    99.99738  -170.54703
   34    33 S   HC   _H4_    37     1.09787   107.57219    50.44699
   35    30 S   CO3  _C3_    29     1.52964   114.07416   173.76341
   36    35 S   O2Z  _O31    30     1.26377   116.07404    -0.53595
   37    35 S   O2Z  _O32    31     1.26428   114.41195   179.52317
   38    33 S   CT   _C7_    38     1.54270   111.85826   -67.66667
   39    38 S   HC   _H5_    39     1.09411   110.21632    64.14264
   40    38 S   CT   _C8_    40     1.54070   110.10337  -175.87802
   41    40 S   HC   _H6_    41     1.09881   107.81908   -66.38703
   42    38 S   OH   _O39    64     1.43004   111.58695   -53.40260
   43    42 S   HO   _H16    65     0.97027   109.22887   -57.92061
   44    40 S   CT   _C9_    42     1.53774   110.55121    52.16030
   45    44 S   HC   _H7_    43     1.09732   110.97276    63.83522
   46    40 S   OS   _O38    59     1.43000   111.45044   172.89911
   47    44 S   OS   _O33    44     1.43062   109.85096   -56.58897
   48    44 S   CT   _C10    51     1.53369   112.46519  -176.64789
   49    48 S   HC   _H11    52     1.09533   110.20703   -66.53557
   50    48 S   HC   _H12    53     1.09548   109.92376   173.48040
   51    46 S   CT   _C11    60     1.42056   113.43633    79.89701
   52    51 S   HC   _H13    61     1.09342   108.15755   177.39736
   53    51 S   HC   _H14    62     1.09423   110.56378    58.86439
   54    51 S   HC   _H15    63     1.09300   111.08633   -63.91201
   55    33 S   CT   _C5_    45     1.54607   111.03883   167.89128
   56    55 S   HC   _H3_    46     1.09732   111.34929    59.96737
   57    48 S   OS   _O34    54     1.42614   109.91758    54.69132
   58    55 S   CT   _C4_    47     1.52885   113.35406   -62.36893
   59    58 S   HC   _H8_    48     1.09575   110.86921   -55.63499
   60    58 S   HC   _H9_    49     1.09602   110.19399  -173.26323
   61    58 S   HC   _H10    50     1.09312   112.43235    66.35601
   62    57 S   SY   _S1_    55     1.63862   119.44732  -166.26567
   63    62 S   OY   _O37    56     1.46177   104.50158   -53.14880
   64    62 S   OY   _O35    57     1.46163   103.45867  -172.99075
   65    62 S   OY   _O36    58     1.46181   104.14164    67.36146
  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
  16   8   2   1   1  14   7  16   7   4   1  12   7   6  10   8
   3   2   3   2   1   1   5   4   4   3   2   1   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    55    56    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    55    56    58    59    60    61    46    42    43  
   38    39    40    47    55    56    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    55    56    58    48    46    51    42    43  
   40    41    44    55    46    42    43  
   41    44    45    47    55    48    49    50    57    46    51    52    53    54    42    43  
   44    45    47    48    46    51    42  
   43    44    46    55  
    0  
   45    47    55    56    58    48    49    50    57    62    46    51  
   47    55    48    49    50    57    46  
   51    52    53    54    47    48  
   55    56    58    59    60    61    48    49    50    57  
   49    50    57    62    63    64    65    55  
   50    57    62  
   57    62  
   52    53    54  
   53    54  
   54  
    0  
   56    58    59    60    61  
   58    59    60    61  
   62    63    64    65  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65  
   64    65  
   65  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   47   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.051100   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   63   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   64   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   65   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
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    55   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   320.000  1.410
   44    48   268.000  1.529
   47    55   320.000  1.410
   55    56   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   320.000  1.410
   57    62   335.000  1.682
   62    63   735.000  1.471
   62    64   735.000  1.471
   62    65   735.000  1.471
   46    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   42    43   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    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    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    55    47    50.00000  109.50000
   33    55    56    37.50000  110.70000
   33    55    58    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    50.00000  109.50000
   40    44    48    58.35000  112.70000
   40    46    51    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    47    55    60.00000  109.50000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    57    50.00000  109.50000
   47    44    45    35.00000  109.50000
   47    55    56    35.00000  109.50000
   47    55    58    50.00000  109.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    37.50000  110.70000
   58    55    56    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    47    50.00000  109.50000
   48    57    62   100.00000  113.05000
   50    48    49    33.00000  107.80000
   57    48    49    35.00000  109.50000
   57    48    50    35.00000  109.50000
   57    62    63   135.00000  106.70400
   57    62    64   135.00000  106.70400
   57    62    65   135.00000  106.70400
   64    62    63   115.00000  120.17200
   65    62    63   115.00000  120.17200
   65    62    64   115.00000  120.17200
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    55    47   0.56750  1.0 1.0
   29    33    55    47  -0.07550 -1.0 2.0
   29    33    55    47   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    58   0.44750  1.0 1.0
   29    33    55    58  -0.17800 -1.0 2.0
   29    33    55    58   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    55    58    59   0.15000  1.0 3.0
   33    55    58    60   0.15000  1.0 3.0
   33    55    58    61   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    55    47   0.23400  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    58   0.15000  1.0 3.0
   38    33    55    47   0.62750  1.0 1.0
   38    33    55    47  -0.30950 -1.0 2.0
   38    33    55    47   0.27300  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    58   0.56750  1.0 1.0
   38    33    55    58  -0.07550 -1.0 2.0
   38    33    55    58   0.20000  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.62750  1.0 1.0
   38    40   -44    47  -0.30950 -1.0 2.0
   38    40   -44    47   0.27300  1.0 3.0
   38    40    44    48   0.56750  1.0 1.0
   38    40    44    48  -0.07550 -1.0 2.0
   38    40    44    48   0.20000  1.0 3.0
   38    40    46    51   0.06250  1.0 1.0
   38    40    46    51  -0.01100 -1.0 2.0
   38    40    46    51   0.28050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    55   0.06250  1.0 1.0
   40    44    47    55  -0.01100 -1.0 2.0
   40    44    47    55   0.28050  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    50   0.15000  1.0 3.0
   40    44    48    57   0.62750  1.0 1.0
   40    44    48    57  -0.30950 -1.0 2.0
   40    44    48    57   0.27300  1.0 3.0
   40    46    51    52   0.37050  1.0 3.0
   40    46    51    53   0.37050  1.0 3.0
   40    46    51    54   0.37050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.23400  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    46    51   0.37050  1.0 3.0
   44    40    46    51   0.06250  1.0 1.0
   44    40    46    51  -0.01100 -1.0 2.0
   44    40    46    51   0.28050  1.0 3.0
   44    47   -55    33   0.06250  1.0 1.0
   44    47   -55    33  -0.01100 -1.0 2.0
   44    47   -55    33   0.28050  1.0 3.0
   44    47    55    56   0.37050  1.0 3.0
   44    47    55    58   0.06250  1.0 1.0
   44    47    55    58  -0.01100 -1.0 2.0
   44    47    55    58   0.28050  1.0 3.0
   44    48    57    62   0.37500  1.0 3.0
   45    44    47    55   0.37050  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    57   0.23400  1.0 3.0
   47    44    48    49   0.23400  1.0 3.0
   47    44    48    50   0.23400  1.0 3.0
   47    44    48    57   1.11900  1.0 1.0
   47    44    48    57  -1.16350 -1.0 2.0
   47    44    48    57  -0.34150  1.0 3.0
   47    55    58    59   0.23400  1.0 3.0
   47    55    58    60   0.23400  1.0 3.0
   47    55    58    61   0.23400  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.86500  1.0 1.0
   55    33    38    42  -0.17500 -1.0 2.0
   55    33    38    42   0.20800  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   48    44    47    55   0.06250  1.0 1.0
   48    44    47    55  -0.01100 -1.0 2.0
   48    44    47    55   0.28050  1.0 3.0
   48    57    62    63   0.29800  1.0 3.0
   48    57    62    64   0.29800  1.0 3.0
   48    57    62    65   0.29800  1.0 3.0
   49    48    57    62   0.00000  1.0 1.0
   50    48    57    62   0.00000  1.0 1.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   1.11900  1.0 1.0
   46    40    44    47  -1.16350 -1.0 2.0
   46    40    44    47  -0.34150  1.0 3.0
   46    40    44    48   0.62750  1.0 1.0
   46    40    44    48  -0.30950 -1.0 2.0
   46    40    44    48   0.27300  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -1.0 2.0
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
END
