* LIGAND DATABASE FILE (OPLS2005)
*
001      63    64    115    177     334
    1     0 S   NP   _N1_     1    28.91369    93.95203   -22.11593
    2     1 S   H    _HN1     2     1.02772    95.12361   -81.32086
    3     1 S   H    _H1_     3     1.03032    89.41557    26.89456
    4     1 S   H    _H2_     4     1.02824    27.15638   158.54996
    5     1 S   CT   _CA1     5     1.50075   137.60516   147.31067
    6     5 S   HC   _HA1     6     1.09567   105.23493    65.84130
    7     5 S   CO3  _C1_     7     1.53808   112.37336   -54.46024
    8     7 S   O2Z  _O11     8     1.26363   115.05053   -44.62807
    9     7 S   O2Z  _O12     9     1.26242   114.91532   134.53307
   10     5 S   CT   _CB1    10     1.53068   107.43807  -176.12450
   11    10 S   HC   HB11    11     1.09821   109.53198   -49.04746
   12    10 S   HC   HB12    12     1.09766   110.41612    67.66390
   13    10 S   CT   _CG1    13     1.52943   112.66071  -170.22320
   14    13 S   HC   HG11    14     1.09589   110.49403   -61.93482
   15    13 S   HC   HG12    15     1.09645   110.02218    57.36127
   16    13 S   C    _CD1    16     1.51778   112.12777   177.77428
   17    16 S   O    _OE1    17     1.22761   123.28831    -1.56860
   18    16 S   N    _N2_    18     1.38649   111.62513   178.30211
   19    18 S   H    _HN2    19     1.01609   119.05931     0.55918
   20    18 S   CT1  _CA2    20     1.46111   123.19781  -179.78511
   21    20 S   HC   _HA2    21     1.09495   108.89364   -15.69771
   22    20 S   C    _C2_    22     1.53387   108.49525  -130.63622
   23    22 S   O    _O2_    23     1.23021   122.38510  -148.48699
   24    20 S   CT   _CB2    32     1.53463   111.83132   106.93565
   25    24 S   HC   HB21    33     1.09663   109.35599    60.43368
   26    24 S   HC   HB22    34     1.09542   111.20809   177.73445
   27    22 S   N    _N3_    24     1.38376   113.40912    39.09770
   28    27 S   H    _HN3    25     1.01657   119.47140    -3.57183
   29    24 S   S    _SG2    35     1.82756   114.12196   -58.74848
   30    27 S   CT   _CA3    26     1.45290   123.12040   176.89146
   31    30 S   HC   HA31    27     1.09551   107.55462   -63.27810
   32    30 S   HC   HA32    28     1.09558   107.91538    53.12660
   33    29 S   CT   _C15    36     1.83011   100.07544   -81.61957
   34    33 S   F    F1__    37     1.36548   108.21418   -64.00517
   35    33 S   F    F2__    38     1.36328   109.49283    49.81293
   36    30 S   CO3  _C3_    29     1.52932   114.12948   175.11541
   37    36 S   O2Z  _O31    30     1.26365   116.03825     0.05935
   38    36 S   O2Z  _O32    31     1.26427   114.42058  -179.89532
   39    33 S   CA   _C6_    39     1.51015   110.19461   173.01079
   40    39 S   CA   _C5_    40     1.39680   120.60133    90.61271
   41    40 S   HA   _H6_    41     1.08703   120.65287     0.12354
   42    40 S   CA   _C4_    42     1.39087   119.97529  -179.79064
   43    42 S   HA   _H5_    43     1.08677   119.85922   179.76427
   44    42 S   CA   _C9_    44     1.39858   120.42765    -0.05595
   45    44 S   HA   _H8_    45     1.08430   116.68301   178.99381
   46    44 S   CA   _C8_    46     1.40153   121.18227     0.14804
   47    39 S   CA   _C7_    47     1.40780   120.31493   -88.81815
   48    47 S   HA   _H7_    48     1.08787   117.50663    -0.99367
   49    46 S   N    _N4_    49     1.42672   121.93405  -179.63955
   50    49 S   C    _C13    50     1.40864   126.26869    11.61028
   51    50 S   O    _O33    51     1.22295   129.77408    -1.79798
   52    50 S   CT   _C12    52     1.51376   107.38569   175.06569
   53    52 S   Cl   Cl1_    53     1.77998   106.96145   -99.17425
   54    52 S   HC   _H4_    54     1.09331   111.14450   142.16925
   55    52 S   CT   _C11    55     1.52887   104.07941    19.49136
   56    55 S   HC   _H3_    56     1.09691   111.90882  -148.90101
   57    49 S   CT   _C10    57     1.45244   122.32485  -173.34601
   58    57 S   HC   _H9_    58     1.09371   111.22708    44.05991
   59    57 S   HC   _H10    59     1.09627   108.11051   -76.33269
   60    55 S   CT   _C14    60     1.53601   110.22994    90.40662
   61    60 S   Cl   Cl2_    61     1.78158   111.42287   174.02952
   62    60 S   HC   _H11    62     1.09447   110.60188    55.61274
   63    60 S   HC   _H12    63     1.09462   112.11667   -65.24594
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   6   3   7   3  10   4   1
  11  10   5  11   5   4   8   7   6   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    48    49  
   41    42    43    44    45    46    47    48  
   42    43    44    47  
   43    44    45    46    47    49  
   44    45    46  
   45    46    47    48    49    50    57  
   46    47    49  
   47    48    49    50    51    52    55    57    58    59  
   48    49    50    57  
   49  
   50    51    52    53    54    55    56    57    58    59    60  
   51    52    53    54    55    56    57    58    59    60  
   52    53    54    55    57  
   53    54    55    56    57    58    59    60    61    62    63  
   54    55    56    57    60  
   55    56    57    60  
   56    57    58    59    60    61    62    63  
   57    58    59    60    61    62    63  
   58    59    60    61    62    63  
   59    60  
   60  
   61    62    63  
   62    63  
   63  
    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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   54   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   62   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.103000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    47   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   469.000  1.400
   46    49   360.000  1.404
   47    48   367.000  1.080
   49    50   490.000  1.335
   49    57   337.000  1.449
   50    51   570.000  1.229
   50    52   317.000  1.522
   52    53   245.000  1.781
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   245.000  1.781
   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    47    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    47    46    63.00000  120.00000
   39    47    48    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    46    63.00000  120.00000
   44    42    43    35.00000  120.00000
   44    46    47    63.00000  120.00000
   44    46    49    70.00000  119.01900
   46    44    45    35.00000  120.00000
   46    47    48    35.00000  120.00000
   46    49    50    65.00000  121.96500
   46    49    57    70.00000  121.06000
   47    39    40    63.00000  120.00000
   49    46    47    70.00000  119.01900
   49    50    51    80.00000  122.90000
   49    50    52    70.00000  116.60000
   49    57    55    70.00000  110.72300
   49    57    58    35.00000  109.50000
   49    57    59    35.00000  109.50000
   50    52    53    75.00000  109.32700
   50    52    54    35.00000  109.50000
   50    52    55    63.00000  111.10000
   52    50    51    80.00000  120.40000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    60    58.35000  112.70000
   54    52    53    51.00000  107.60000
   55    52    53    69.00000  109.80000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    60    61    69.00000  109.80000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   57    49    50    50.00000  121.90000
   57    55    56    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    58.35000  112.70000
   62    60    61    51.00000  107.60000
   63    60    61    51.00000  107.60000
   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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    47  -0.16000  1.0 1.0
   29    33    39    47  -0.03200 -1.0 2.0
   29    33    39    47   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    47    46   3.62500 -1.0 2.0
   33    39    47    48   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    47    46   3.62500 -1.0 2.0
   40    39    47    48   3.62500 -1.0 2.0
   40    42    44    45   3.62500 -1.0 2.0
   40    42   -44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    46    47   3.62500 -1.0 2.0
   42    44    46    49   3.62500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    46   -47    39   3.62500 -1.0 2.0
   44    46    47    48   3.62500 -1.0 2.0
   44    46    49    50   1.00100  1.0 1.0
   44    46    49    50   0.85050 -1.0 2.0
   44    46    49    57   0.81400  1.0 1.0
   44    46    49    57   1.55550 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    49   3.62500 -1.0 2.0
   46    49    50    51   0.04000 -1.0 2.0
   46    49    50    52   0.76000  1.0 1.0
   46    49    50    52   4.11600 -1.0 2.0
   46    49    57    55   0.36200 -1.0 2.0
   46    49    57    58   0.00000  1.0 1.0
   46    49    57    59   0.00000  1.0 1.0
   47    39    40    41   3.62500 -1.0 2.0
   47    39   -40    42   3.62500 -1.0 2.0
   47    46    49    50   1.00100  1.0 1.0
   47    46    49    50   0.85050 -1.0 2.0
   47    46    49    57   0.81400  1.0 1.0
   47    46    49    57   1.55550 -1.0 2.0
   49    46    47    39   3.62500 -1.0 2.0
   49    46    47    48   3.62500 -1.0 2.0
   49    50    52    53   0.00000  1.0 1.0
   49    50    52    54   0.00000  1.0 1.0
   49    50   -52    55   1.39750  1.0 1.0
   49    50   -52    55  -0.07950 -1.0 2.0
   49    50   -52    55  -0.18750  1.0 3.0
   50    49   -57    55  -0.43950  1.0 1.0
   50    49   -57    55  -0.08100 -1.0 2.0
   50    49   -57    55   0.03350  1.0 3.0
   50    49    57    58   0.00000  1.0 1.0
   50    49    57    59   0.00000  1.0 1.0
   50    52    55    56  -0.11250  1.0 3.0
   50    52   -55    57  -0.95700  1.0 1.0
   50    52   -55    57  -0.18200 -1.0 2.0
   50    52   -55    57   0.29450  1.0 3.0
   50    52    55    60  -0.95700  1.0 1.0
   50    52    55    60  -0.18200 -1.0 2.0
   50    52    55    60   0.29450  1.0 3.0
   51    50    52    53   0.30150 -1.0 2.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.30150 -1.0 2.0
   52    55   -57    49   0.43900  1.0 1.0
   52    55   -57    49   0.49100 -1.0 2.0
   52    55   -57    49   0.28400  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    59   0.15000  1.0 3.0
   52    55    60    61   0.35600  1.0 1.0
   52    55    60    61  -0.14650 -1.0 2.0
   52    55    60    61   0.33350  1.0 3.0
   52    55    60    62   0.15000  1.0 3.0
   52    55    60    63   0.15000  1.0 3.0
   53    52    55    56   0.27000  1.0 3.0
   53    52    55    57   0.35600  1.0 1.0
   53    52    55    57  -0.14650 -1.0 2.0
   53    52    55    57   0.33350  1.0 3.0
   53    52    55    60   0.35600  1.0 1.0
   53    52    55    60  -0.14650 -1.0 2.0
   53    52    55    60   0.33350  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    60   0.15000  1.0 3.0
   56    55    57    49   0.15000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    60    61   0.27000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   57    49    50    51   3.04450 -1.0 2.0
   57    49   -50    52   1.49850  1.0 1.0
   57    49   -50    52   1.53950 -1.0 2.0
   57    55    60    61   0.35600  1.0 1.0
   57    55    60    61  -0.14650 -1.0 2.0
   57    55    60    61   0.33350  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    63   0.15000  1.0 3.0
   60    55    57    49   0.43900  1.0 1.0
   60    55    57    49   0.49100 -1.0 2.0
   60    55    57    49   0.28400  1.0 3.0
   60    55    57    58   0.15000  1.0 3.0
   60    55    57    59   0.15000  1.0 3.0
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
   37    30    36    38  10.50000 -1.0 2.0
   40    47    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   47    49    46    44   4.00000 -1.0 2.0
   46    48    47    39   1.10000 -1.0 2.0
   57    50    49    46   1.00000 -1.0 2.0
   49    52    50    51  10.50000 -1.0 2.0
END
