* LIGAND DATABASE FILE (OPLS2005)
*
001      60    59    106    137     296
    1     0 S   NP   _N1_     1    28.86529    94.34656   -20.16508
    2     1 S   H    _HN1     2     1.02967    98.54993    42.09438
    3     1 S   H    _H1_     3     1.02835    30.08936   151.45616
    4     1 S   H    _H2_     4     1.02781    83.98025   -65.57583
    5     1 S   CT   _CA1     5     1.50123   138.88014   177.15848
    6     5 S   HC   _HA1     6     1.09570   105.27297    45.71180
    7     5 S   CO3  _C1_     7     1.53843   112.39222   -74.50636
    8     7 S   O2Z  _O11     8     1.26338   115.08434   -42.40493
    9     7 S   O2Z  _O12     9     1.26253   114.96031   136.93854
   10     5 S   CT   _CB1    10     1.53098   107.37837   163.63560
   11    10 S   HC   HB11    11     1.09812   109.43300   -50.42664
   12    10 S   HC   HB12    12     1.09801   110.29805    66.07545
   13    10 S   CT   _CG1    13     1.52992   112.75540  -171.66443
   14    13 S   HC   HG11    14     1.09387   110.16471   -58.90000
   15    13 S   HC   HG12    15     1.09605   110.31765    60.11576
   16    13 S   C    _CD1    16     1.51762   111.98630  -179.81337
   17    16 S   O    _OE1    17     1.22760   122.93434   -20.84085
   18    16 S   N    _N2_    18     1.38583   111.96767   160.32591
   19    18 S   H    _HN2    19     1.01612   119.22434     0.61802
   20    18 S   CT1  _CA2    20     1.46222   123.35963  -178.48070
   21    20 S   HC   _HA2    21     1.09727   109.30107   -15.35207
   22    20 S   C    _C2_    22     1.53420   108.30516  -131.11559
   23    22 S   O    _O2_    23     1.23017   122.23796  -146.60793
   24    20 S   CT   _CB2    32     1.53505   111.55854   106.76738
   25    24 S   HC   HB21    33     1.09380   109.67051    56.53323
   26    24 S   HC   HB22    34     1.09524   110.36276   175.10871
   27    22 S   N    _N3_    24     1.38509   113.37544    40.79568
   28    27 S   H    _HN3    25     1.01530   118.89362    -0.58651
   29    24 S   S    _SG2    35     1.82651   111.94968   -65.22785
   30    27 S   CT   _CA3    26     1.45448   123.46248   175.16220
   31    30 S   HC   HA31    27     1.09523   109.23879    24.13840
   32    30 S   HC   HA32    28     1.09495   107.11164   141.14397
   33    29 S   CT   _C9_    36     1.82503    99.79801   170.54250
   34    33 S   HC   _H13    37     1.09428   109.29927    46.90381
   35    33 S   HC   _H14    38     1.09512   106.43559   163.17221
   36    30 S   CO3  _C3_    29     1.52934   113.14634   -99.34325
   37    36 S   O2Z  _O31    30     1.26402   115.42859   -43.64271
   38    36 S   O2Z  _O32    31     1.26361   114.97302   137.30132
   39    33 S   CT   _C8_    39     1.52326   112.78593   -76.93834
   40    39 S   HC   _H11    40     1.09529   109.03044   178.31519
   41    39 S   HC   _H12    41     1.09344   112.20324    58.94016
   42    39 S   OS   _O36    42     1.42125   109.74991   -63.04276
   43    42 S   P1   _P1_    43     1.61744   118.68730  -173.84241
   44    43 S   O2Z  _O34    44     1.50108   114.79153    56.31110
   45    43 S   OS   _O33    45     1.61683   103.54888  -177.94338
   46    43 S   OS   _O35    53     1.61911   104.29468   -69.74121
   47    45 S   CT   _C4_    46     1.42079   119.11847   -65.07116
   48    47 S   HC   _H3_    47     1.09561   111.02619    15.46956
   49    47 S   HC   _H4_    48     1.09444   107.43204  -102.31579
   50    46 S   CT   _C6_    54     1.42309   119.39298   -61.54727
   51    50 S   HC   _H7_    55     1.09460   110.10696    48.01766
   52    50 S   HC   _H8_    56     1.09431   107.95130   -70.17965
   53    47 S   CT   _C5_    49     1.51869   109.26032   138.63063
   54    53 S   Cl   Cl1_    50     1.78321   110.77473   -69.79620
   55    53 S   HC   _H5_    51     1.09367   111.29203    49.26632
   56    53 S   HC   _H6_    52     1.09328   110.78511   171.11909
   57    50 S   CT   _C7_    57     1.51816   109.60878   171.02154
   58    57 S   Cl   Cl2_    58     1.78174   110.81014   -71.49568
   59    57 S   HC   _H9_    59     1.09368   111.33267    47.72246
   60    57 S   HC   _H10    60     1.09282   110.88096   169.64089
  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   7   5   4   3
   7   5   4   2   1   1   7   3   2   6  11   4   9   8   6   5
   4   6   5   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    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    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46  
   41    42    43  
   42    43  
   43    44    45    47    46    50  
   44    45    47    48    49    53    46    50    51    52    57  
   45    47    46    50  
   47    48    49    53    54    55    56    46    50  
   50    51    52    57    58    59    60    47  
   48    49    53    54    55    56  
   49    53    54    55    56  
   53    54    55    56  
   51    52    57    58    59    60  
   52    57    58    59    60  
   57    58    59    60  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60  
   59    60  
   60  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   44   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   45   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   46   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   55   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   59   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   60   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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   320.000  1.410
   42    43   405.000  1.623
   43    44   675.000  1.490
   43    45   405.000  1.623
   43    46   405.000  1.623
   45    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   268.000  1.529
   53    54   245.000  1.781
   53    55   340.000  1.090
   53    56   340.000  1.090
   46    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   245.000  1.781
   57    59   340.000  1.090
   57    60   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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    75.00000  119.24600
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    44   100.00000  115.86100
   42    43    45   120.00000  102.38000
   42    43    46   120.00000  102.38000
   43    45    47    75.00000  119.24600
   43    46    50    75.00000  119.24600
   45    43    44   100.00000  115.86100
   45    47    48    35.00000  109.50000
   45    47    49    35.00000  109.50000
   45    47    53    50.00000  109.50000
   47    53    54    69.00000  109.80000
   47    53    55    37.50000  110.70000
   47    53    56    37.50000  110.70000
   49    47    48    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    49    37.50000  110.70000
   55    53    54    51.00000  107.60000
   56    53    54    51.00000  107.60000
   56    53    55    33.00000  107.80000
   46    43    44   100.00000  115.86100
   46    43    45   120.00000  102.38000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    57    50.00000  109.50000
   50    57    58    69.00000  109.80000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   59    57    58    51.00000  107.60000
   60    57    58    51.00000  107.60000
   60    57    59    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43  -2.65550  1.0 1.0
   33    39    42    43  -0.22350 -1.0 2.0
   33    39    42    43   0.24150  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    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    42    43    44   0.00000  1.0 1.0
   39    42    43    45   0.91800  1.0 1.0
   39    42    43    45   0.22900 -1.0 2.0
   39    42    43    45   0.32050  1.0 3.0
   39    42    43    46   0.91800  1.0 1.0
   39    42    43    46   0.22900 -1.0 2.0
   39    42    43    46   0.32050  1.0 3.0
   40    39    42    43   0.03000  1.0 3.0
   41    39    42    43   0.03000  1.0 3.0
   42    43    45    47   0.91800  1.0 1.0
   42    43    45    47   0.22900 -1.0 2.0
   42    43    45    47   0.32050  1.0 3.0
   42    43    46    50   0.91800  1.0 1.0
   42    43    46    50   0.22900 -1.0 2.0
   42    43    46    50   0.32050  1.0 3.0
   43    45    47    48   0.03000  1.0 3.0
   43    45    47    49   0.03000  1.0 3.0
   43    45    47    53  -2.65550  1.0 1.0
   43    45    47    53  -0.22350 -1.0 2.0
   43    45    47    53   0.24150  1.0 3.0
   43    46    50    51   0.03000  1.0 3.0
   43    46    50    52   0.03000  1.0 3.0
   43    46    50    57  -2.65550  1.0 1.0
   43    46    50    57  -0.22350 -1.0 2.0
   43    46    50    57   0.24150  1.0 3.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    46    50   0.00000  1.0 1.0
   45    43    46    50   0.91800  1.0 1.0
   45    43    46    50   0.22900 -1.0 2.0
   45    43    46    50   0.32050  1.0 3.0
   45    47    53    54   0.56750  1.0 1.0
   45    47    53    54  -0.07550 -1.0 2.0
   45    47    53    54   0.20000  1.0 3.0
   45    47    53    55   0.23400  1.0 3.0
   45    47    53    56   0.23400  1.0 3.0
   48    47    53    54   0.27000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   48    47    53    56   0.15000  1.0 3.0
   49    47    53    54   0.27000  1.0 3.0
   49    47    53    55   0.15000  1.0 3.0
   49    47    53    56   0.15000  1.0 3.0
   46    43    45    47   0.91800  1.0 1.0
   46    43    45    47   0.22900 -1.0 2.0
   46    43    45    47   0.32050  1.0 3.0
   46    50    57    58   0.56750  1.0 1.0
   46    50    57    58  -0.07550 -1.0 2.0
   46    50    57    58   0.20000  1.0 3.0
   46    50    57    59   0.23400  1.0 3.0
   46    50    57    60   0.23400  1.0 3.0
   51    50    57    58   0.27000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   52    50    57    58   0.27000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    60   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
END
