* LIGAND DATABASE FILE (OPLS2005)
*
001      64    66    117    190     346
    1     0 S   NP   _N1_     1    28.03241    96.46101   -24.00785
    2     1 S   H    _HN1     2     1.02834    29.53258   154.48050
    3     1 S   H    _H1_     3     1.02776   109.69742  -113.79988
    4     1 S   H    _H2_     4     1.02956    78.87082    -8.12714
    5     1 S   CT   _CA1     5     1.50156   130.69337    99.27704
    6     5 S   HC   _HA1     6     1.09574   105.18947    84.90922
    7     5 S   CO3  _C1_     7     1.53752   112.25896   -35.26266
    8     7 S   O2Z  _O11     8     1.26372   114.97945   -45.16874
    9     7 S   O2Z  _O12     9     1.26214   114.90888   133.69424
   10     5 S   CT   _CB1    10     1.53065   107.39731  -157.20378
   11    10 S   HC   HB11    11     1.09836   109.28829   -49.96233
   12    10 S   HC   HB12    12     1.09814   110.45262    66.55640
   13    10 S   CT   _CG1    13     1.53070   112.75185  -170.97483
   14    13 S   HC   HG11    14     1.09584   110.61309   -65.76897
   15    13 S   HC   HG12    15     1.09657   109.84900    53.49803
   16    13 S   C    _CD1    16     1.51860   112.04868   173.86512
   17    16 S   O    _OE1    17     1.22789   123.18024     5.90233
   18    16 S   N    _N2_    18     1.38564   111.94753  -174.15621
   19    18 S   H    _HN2    19     1.01581   119.20777     3.17052
   20    18 S   CT1  _CA2    20     1.45888   122.59291   177.47493
   21    20 S   HC   _HA2    21     1.09722   108.80851    28.38596
   22    20 S   C    _C2_    22     1.52937   106.68842   -88.87275
   23    22 S   O    _O2_    23     1.23013   122.91246   -30.92953
   24    20 S   CT   _CB2    32     1.53273   112.47069   151.71385
   25    24 S   HC   HB21    33     1.09378   109.65616    56.47891
   26    24 S   HC   HB22    34     1.09437   109.49922   174.96110
   27    22 S   N    _N3_    24     1.38478   112.75633   151.69695
   28    27 S   H    _HN3    25     1.01671   120.40542    -1.14569
   29    24 S   S    _SG2    35     1.82633   110.85027   -65.09353
   30    27 S   CT   _CA3    26     1.45373   122.31850   178.85551
   31    30 S   HC   HA31    27     1.09567   107.50025   -62.76410
   32    30 S   HC   HA32    28     1.09575   107.87707    53.51203
   33    29 S   CT   _C9_    36     1.87608   102.09484   171.65484
   34    30 S   CO3  _C3_    29     1.52865   114.50735   175.53797
   35    34 S   O2Z  _O31    30     1.26307   116.11518    -0.06561
   36    34 S   O2Z  _O32    31     1.26463   114.37746   180.00000
   37    33 S   CD   _C6_    37     1.51555   104.43449   173.05748
   38    33 S   CT   _C10    57     1.54273   113.86367    48.30946
   39    38 S   HC   _H3_    58     1.10095   106.92172   -66.14828
   40    37 S   CM   _C5_    38     1.48405   121.28696    87.57828
   41    38 S   CO3  _C17    59     1.55199   122.87771    53.14093
   42    41 S   O2Z  _O40    60     1.26662   115.00148   175.98927
   43    41 S   O2Z  _O39    61     1.26045   116.75874    -6.60658
   44    40 S   CM   _C4_    39     1.43579   102.93429  -177.33611
   45    44 S   HC   _H5_    40     1.07704   126.19088   179.77100
   46    40 S   CMA  _C15    46     1.34246   126.91957     2.11063
   47    46 S   OM   _O36    47     1.26265   131.26484  -177.42504
   48    44 S   CM   _C7_    41     1.34206   105.90295    -0.88116
   49    46 S   CO4  _C14    48     1.52241   112.92595     3.04086
   50    49 S   O    _O35    49     1.23462   121.49399  -161.91957
   51    37 S   NI   _N4_    42     1.31103   126.89366   -90.20741
   52    48 S   CO3  _C8_    43     1.53947   123.72631  -179.55369
   53    52 S   O2Z  _O34    44     1.26536   115.61547   179.02281
   54    52 S   O2Z  _O33    45     1.26622   115.84513    -0.97237
   55    33 S   CT1  _C13    50     1.53977   109.03721   -72.79798
   56    55 S   HC   _H4_    51     1.09618   110.50714    55.48932
   57    55 S   NI   _N5_    52     1.46840   114.42110   175.65247
   58    57 S   CD   _C12    53     1.28573   120.57379   -23.13784
   59    58 S   CT   _C11    54     1.50809   125.64493     2.30163
   60    59 S   HC   _H6_    55     1.09703   107.68315   111.78198
   61    59 S   HC   _H7_    56     1.09716   107.46227  -133.42672
   62    58 S   CO3  _C16    62     1.51476   115.27046  -179.25297
   63    62 S   O2Z  _O38    63     1.26675   115.50176  -172.60479
   64    62 S   O2Z  _O37    64     1.26742   116.69182     7.76321
  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  12   5   4   3
  20   2   1   1  16  15   8  10   7   2   1   9   4   8   3   4
   5   3   4   2   1   1   5   2   7   6   5   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    51    49    55    56    57    59    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    44    48    51    46    49    50    55    56    57    58    59    60    61    38    39    41    42    43  
   35    36  
   36  
    0  
   40    44    45    48    51    52    46    47    49    55    56    57    59    38    39    41  
   39    41    42    43    62    40    49    51    55    56    57    58    59    60    61  
   41    42    43    55    58    59    60    61  
   44    45    48    51    52    46    47    49    50    55  
   42    43    55    58    59    60    61  
   43    59  
   59  
   45    48    51    52    53    54    46    47    49  
   48    51    52    46  
   47    49    50    55    56    57    48    51  
   49    50    55  
   51    52    53    54  
   50    55    56    57    58  
   55    56    57  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    58    59    62  
   57    58  
   58    59    60    61    62    63    64  
   59    60    61    62    63    64  
   60    61    62    63    64  
   61    62  
   62  
   63    64  
   64  
    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   0.203600   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760  -0.604500   2.0020   1.7750   0.023028004  -0.852763146
   41   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5500   0.0760  -0.187800   2.0020   1.7750   0.023028004  -0.852763146
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   52   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   58   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   270.000  1.508
   33    55   268.000  1.529
   33    38   268.000  1.529
   37    40   320.000  1.464
   37    51   500.000  1.261
   40    44   380.000  1.444
   40    46   465.000  1.376
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    51   405.000  1.380
   48    52   230.000  1.545
   52    53   656.000  1.250
   52    54   656.000  1.250
   46    47   745.000  1.250
   46    49   270.000  1.476
   49    50   570.000  1.229
   49    55   255.000  1.522
   55    56   340.000  1.090
   55    57   315.000  1.431
   57    58   500.000  1.261
   58    59   270.000  1.508
   58    62   270.000  1.486
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    38   268.000  1.529
   38    39   340.000  1.090
   38    41   317.000  1.522
   41    42   656.000  1.250
   41    43   656.000  1.250
   62    63   656.000  1.250
   62    64   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  114.43000
   29    33    55    75.00000  108.68000
   29    33    38    75.00000  111.63000
   33    37    40    65.00000  117.24000
   33    37    51    65.00000  122.10100
   33    55    49    70.00000  110.61500
   33    55    56    37.50000  110.70000
   33    55    57    80.00000  110.18800
   33    38    59    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    41    70.00000  109.69300
   37    40    44    60.00000  120.31500
   37    40    46    60.00000  120.31500
   37    51    48    75.00000  115.77100
   40    44    45    35.00000  120.00000
   40    44    48    70.00000  123.01800
   40    46    47    65.00000  137.10300
   40    46    49    65.00000  114.61000
   44    48    51    70.00000  120.83400
   44    48    52    55.00000  124.75400
   48    44    45    35.00000  120.00000
   48    52    53    85.00000  113.83300
   48    52    54    85.00000  113.83300
   51    37    40    70.00000  121.86000
   52    48    51    70.00000  120.00000
   54    52    53    80.00000  126.00000
   46    40    44    70.00000  117.34000
   46    49    50    80.00000  120.81000
   46    49    55    65.00000  118.62400
   49    46    47    85.00000  116.28000
   49    55    56    45.00000  110.09800
   49    55    57    80.00000  108.92000
   55    33    37    70.00000  111.76100
   55    49    50    75.00000  123.42600
   55    57    58    75.00000  114.96100
   57    55    56    45.00000  110.38000
   57    58    59    65.00000  122.10100
   57    58    62    65.00000  123.79500
   58    59    60    45.00000  109.49600
   58    59    61    45.00000  109.49600
   58    59    38    70.00000  111.76100
   58    62    63    85.00000  113.83300
   58    62    64    85.00000  113.83300
   59    38    39    37.50000  110.70000
   59    38    41    70.00000  109.69300
   61    59    60    33.00000  107.80000
   38    33    37    70.00000  111.76100
   38    33    55    58.35000  112.70000
   38    59    60    37.50000  110.70000
   38    59    61    37.50000  110.70000
   38    41    42    70.00000  117.00000
   38    41    43    70.00000  117.00000
   41    38    39    35.00000  109.50000
   43    41    42    80.00000  126.00000
   62    58    59    60.00000  116.68000
   64    62    63    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    51   0.00000  1.0 1.0
   29    33    55    49  -2.17200  1.0 1.0
   29    33    55    49  -0.85700 -1.0 2.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.56750  1.0 1.0
   29    33    55    57  -0.07550 -1.0 2.0
   29    33    55    57   0.20000  1.0 3.0
   29    33    38    59   0.44750  1.0 1.0
   29    33    38    59  -0.17800 -1.0 2.0
   29    33    38    59   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   33    37    40    44   0.69550 -1.0 2.0
   33    37    40    46   0.69550 -1.0 2.0
   33    37    51    48   6.00000 -1.0 2.0
   33    55    57    58  -0.12500  1.0 1.0
   33    55    57    58  -0.12500 -1.0 2.0
   33    55    57    58   0.25000  1.0 3.0
   33    38    41    42   0.41150 -1.0 2.0
   33    38    41    43   0.41150 -1.0 2.0
   37    33    55    49  -0.98800  1.0 1.0
   37    33    55    49   0.48800 -1.0 2.0
   37    33    55    49   0.76800  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.56750  1.0 1.0
   37    33    55    57  -0.07550 -1.0 2.0
   37    33    55    57   0.20000  1.0 3.0
   37    33    38    59   0.34400  1.0 1.0
   37    33    38    59   0.09450 -1.0 2.0
   37    33    38    59   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    41  -0.98800  1.0 1.0
   37    33    38    41   0.48800 -1.0 2.0
   37    33    38    41   0.76800  1.0 3.0
   37    40    44    45  -0.18600  1.0 3.0
   37    40   -44    48   0.28850  1.0 1.0
   37    40   -44    48   2.61350 -1.0 2.0
   37    40   -44    48   0.78400  1.0 3.0
   37    40    46    47   7.00000 -1.0 2.0
   37    40   -46    49   7.00000 -1.0 2.0
   40    37   -51    48   6.00000 -1.0 2.0
   40    44   -48    51   7.00000 -1.0 2.0
   40    44    48    52   7.00000 -1.0 2.0
   40    46    49    50   1.00000 -1.0 2.0
   40    46    49    55  -0.33500  1.0 1.0
   40    46    49    55   1.06600 -1.0 2.0
   40    46    49    55  -0.14000  1.0 3.0
   44    40    46    47   7.00000 -1.0 2.0
   44    40    46    49   7.00000 -1.0 2.0
   44    48   -51    37   1.00000 -1.0 2.0
   44    48    52    53  -0.04000 -1.0 2.0
   44    48    52    53  -0.29050  1.0 3.0
   44    48    52    54  -0.04000 -1.0 2.0
   44    48    52    54  -0.29050  1.0 3.0
   45    44    48    51   7.00000 -1.0 2.0
   45    44    48    52   7.00000 -1.0 2.0
   51    37   -40    44   1.09650  1.0 1.0
   51    37   -40    44   0.48950 -1.0 2.0
   51    37   -40    44   0.49400  1.0 3.0
   51    37    40    46   1.09650  1.0 1.0
   51    37    40    46   0.48950 -1.0 2.0
   51    37    40    46   0.49400  1.0 3.0
   51    48    52    53   1.68800 -1.0 2.0
   51    48    52    54   1.68800 -1.0 2.0
   52    48    51    37   1.00000 -1.0 2.0
   46    40    44    45  -0.18600  1.0 3.0
   46    40    44    48   0.28850  1.0 1.0
   46    40    44    48   2.61350 -1.0 2.0
   46    40    44    48   0.78400  1.0 3.0
   46    49   -55    33   0.65300  1.0 1.0
   46    49   -55    33  -0.03850 -1.0 2.0
   46    49   -55    33   0.33900  1.0 3.0
   46    49    55    56   0.00000  1.0 1.0
   46    49    55    57   0.65300  1.0 1.0
   46    49    55    57  -0.03850 -1.0 2.0
   46    49    55    57   0.33900  1.0 3.0
   47    46    49    50  -0.11900  1.0 1.0
   47    46    49    50   0.76850 -1.0 2.0
   47    46    49    50   0.14100  1.0 3.0
   47    46    49    55   0.32450 -1.0 2.0
   47    46    49    55   0.17400  1.0 3.0
   49    55    57    58  -0.12500  1.0 1.0
   49    55    57    58  -0.12500 -1.0 2.0
   49    55    57    58   0.25000  1.0 3.0
   50    49    55    33   0.00000  1.0 1.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    57   0.30150 -1.0 2.0
   55    33   -37    40   0.09850  1.0 1.0
   55    33   -37    40   0.15250 -1.0 2.0
   55    33   -37    40  -0.50650  1.0 3.0
   55    33    37    51   0.00000  1.0 1.0
   55    33    38    59   0.56750  1.0 1.0
   55    33    38    59  -0.07550 -1.0 2.0
   55    33    38    59   0.20000  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33    38    41  -0.84850  1.0 1.0
   55    33    38    41  -0.22800 -1.0 2.0
   55    33    38    41   0.29250  1.0 3.0
   55    57   -58    59   6.00000 -1.0 2.0
   55    57    58    62   6.00000 -1.0 2.0
   56    55    57    58  -0.15000  1.0 3.0
   57    58    59    60   0.00000  1.0 1.0
   57    58    59    61   0.00000  1.0 1.0
   57    58    59    38   0.00000  1.0 1.0
   57    58    62    63   1.00000 -1.0 2.0
   57    58    62    64   1.00000 -1.0 2.0
   58    59   -38    33   0.34400  1.0 1.0
   58    59   -38    33   0.09450 -1.0 2.0
   58    59   -38    33   0.11100  1.0 3.0
   58    59    38    39   0.15000  1.0 3.0
   58    59    38    41  -0.98800  1.0 1.0
   58    59    38    41   0.48800 -1.0 2.0
   58    59    38    41   0.76800  1.0 3.0
   59    58    62    63   1.00000 -1.0 2.0
   59    58    62    64   1.00000 -1.0 2.0
   59    38    41    42   0.41150 -1.0 2.0
   59    38    41    43   0.41150 -1.0 2.0
   60    59    38    33   0.15000  1.0 3.0
   60    59    38    39   0.15000  1.0 3.0
   60    59    38    41  -0.11250  1.0 3.0
   61    59    38    33   0.15000  1.0 3.0
   61    59    38    39   0.15000  1.0 3.0
   61    59    38    41  -0.11250  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    51   0.00000  1.0 1.0
   38    33    55    49  -0.84850  1.0 1.0
   38    33    55    49  -0.22800 -1.0 2.0
   38    33    55    49   0.29250  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33   -55    57   0.56750  1.0 1.0
   38    33   -55    57  -0.07550 -1.0 2.0
   38    33   -55    57   0.20000  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   62    58    59    60   0.00000  1.0 1.0
   62    58    59    61   0.00000  1.0 1.0
   62    58    59    38   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    51  10.50000 -1.0 2.0
   37    44    40    46   1.10000 -1.0 2.0
   40    45    44    48   1.10000 -1.0 2.0
   52    51    48    44   1.10000 -1.0 2.0
   53    48    52    54  10.50000 -1.0 2.0
   49    47    46    40   1.10000 -1.0 2.0
   46    55    49    50  10.50000 -1.0 2.0
   62    59    58    57  10.50000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
   63    58    62    64  10.50000 -1.0 2.0
END
