* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    119    179     345
    1     0 S   NP   _N1_     1    28.37702    96.57027   -21.30399
    2     1 S   H    _HN1     2     1.02835    40.81960   132.82584
    3     1 S   H    _H1_     3     1.02777    94.56779  -114.90839
    4     1 S   H    _H2_     4     1.02957    75.38575    -7.13215
    5     1 S   CT   _CA1     5     1.50140   147.78810    98.03784
    6     5 S   HC   _HA1     6     1.09575   105.20294    82.71230
    7     5 S   CO3  _C1_     7     1.53780   112.33128   -37.45736
    8     7 S   O2Z  _O11     8     1.26369   114.99048   -44.30254
    9     7 S   O2Z  _O12     9     1.26231   114.92742   134.70107
   10     5 S   CT   _CB1    10     1.53086   107.41080  -159.39655
   11    10 S   HC   HB11    11     1.09830   109.31421   -50.38132
   12    10 S   HC   HB12    12     1.09815   110.44229    66.16970
   13    10 S   CT   _CG1    13     1.53021   112.68188  -171.43613
   14    13 S   HC   HG11    14     1.09596   110.51967   -64.89511
   15    13 S   HC   HG12    15     1.09661   109.90384    54.30731
   16    13 S   C    _CD1    16     1.51848   112.26842   174.66961
   17    16 S   O    _OE1    17     1.22758   123.27479     1.74540
   18    16 S   N    _N2_    18     1.38478   111.70590  -178.20017
   19    18 S   H    _HN2    19     1.01564   119.21034     3.34457
   20    18 S   CT1  _CA2    20     1.45961   122.98351   178.34436
   21    20 S   HC   _HA2    21     1.09705   108.90623    27.15016
   22    20 S   C    _C2_    22     1.52898   106.55998   -90.24738
   23    22 S   O    _O2_    23     1.23036   122.89245   -31.62740
   24    20 S   CT   _CB2    32     1.53168   112.00375   150.53002
   25    24 S   HC   HB21    33     1.09259   109.02874    55.29247
   26    24 S   HC   HB22    34     1.09456   110.07363   173.78432
   27    22 S   N    _N3_    24     1.38500   112.78256   150.69427
   28    27 S   H    _HN3    25     1.01664   120.29010    -0.00000
   29    24 S   S    _SG2    35     1.82873   110.63502   -65.92366
   30    27 S   CT   _CA3    26     1.45361   122.33058   178.81057
   31    30 S   HC   HA31    27     1.09568   107.27755   -67.76217
   32    30 S   HC   HA32    28     1.09578   108.11858    48.51050
   33    29 S   CT   _C13    36     1.86333   101.85972   165.54311
   34    33 S   OM   _O34    37     1.32360   108.22289   173.01206
   35    30 S   CO3  _C3_    29     1.52870   114.61726   170.66535
   36    35 S   O2Z  _O31    30     1.26297   116.21731    -2.12043
   37    35 S   O2Z  _O32    31     1.26487   114.34789   178.05037
   38    33 S   CM   _C8_    38     1.53648   108.69311   -69.94720
   39    33 S   CM   _C12    50     1.52333   110.65923    55.10328
   40    38 S   CM   _C7_    39     1.35324   122.87326   -70.24009
   41    40 S   HC   _H8_    40     1.08316   123.37795     2.19535
   42    39 S   CO3  _C14    51     1.55897   119.14594    67.61372
   43    42 S   O2Z  _O36    52     1.26766   115.15732   -84.41324
   44    42 S   O2Z  _O35    53     1.26729   115.73262    95.73552
   45    40 S   OS   _O33    41     1.36964   127.75508  -178.05771
   46    45 S   CT   _C6_    42     1.43137   114.33953    12.17042
   47    46 S   HC   _H4_    43     1.09746   105.91060  -159.72505
   48    46 S   CT   _C5_    44     1.54085   112.35686   -41.53594
   49    48 S   HC   _H3_    45     1.09549   105.98243   175.35632
   50    46 S   CT   _C16    62     1.53171   109.59472    85.56469
   51    50 S   HC   _H12    63     1.09470   112.20944   -62.73048
   52    50 S   HC   _H13    64     1.09434   111.04740   175.69898
   53    50 S   HC   _H14    65     1.09558   110.04712    55.57867
   54    38 S   CM   _C9_    46     1.47247   117.75232   107.16221
   55    48 S   CT   _C4_    58     1.53679   110.99687   -68.01699
   56    55 S   HC   _H5_    59     1.09524   112.37964    61.00469
   57    55 S   HC   _H6_    60     1.09542   110.40891   -59.18003
   58    55 S   HC   _H7_    61     1.09552   111.08165  -178.34673
   59    54 S   CM   _C10    47     1.35956   122.42629    10.81607
   60    59 S   CMA  _C11    48     1.49816   121.31129     3.11370
   61    60 S   OM   _O37    49     1.26486   112.22289   170.16375
   62    59 S   CT   _C15    54     1.52667   120.93073  -174.53585
   63    62 S   HC   _H9_    55     1.09678   111.07528   130.60428
   64    62 S   HC   _H10    56     1.09171   114.00750    12.94872
   65    62 S   HC   _H11    57     1.09567   110.53507  -108.13111
  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   8   5   4   3
  14   6   2   1   1  13   9   8   3   5   2   1  10  13   8  13
   7   5   2   1   1  11   4   2   1   1   6   5   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    54    60    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    45    48    54    59    60    61    39    42    43    44  
   38    40    54    60    39    42  
   36    37  
   37  
    0  
   40    41    45    46    48    49    54    59    60    39    42    62    55  
   42    43    44    62    40    54    59    60    61  
   41    45    46    47    48    54    59    50  
   45    46    54  
   43    44    59    60    61  
   44    60  
   60  
   46    47    48    49    54    55    50    51    52    53  
   47    48    49    54    59    55    56    57    58    50    51    52    53  
   48    49    54    55    50    51    52    53  
   49    54    59    60    62    55    56    57    58    50    51    52    53  
   54    59    55    56    57    58    50  
   51    52    53    54    55  
   52    53  
   53  
    0  
   59    60    61    62    63    64    65    55    56    57    58  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    64    65  
   61    62    63    64    65  
   62  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.911500   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   61   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    40   549.000  1.340
   38    54   380.000  1.444
   40    41   340.000  1.080
   40    45   440.000  1.360
   45    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   268.000  1.529
   48    49   340.000  1.090
   48    54   317.000  1.510
   48    55   268.000  1.529
   54    59   549.000  1.340
   59    60   465.000  1.376
   59    62   317.000  1.510
   60    61   745.000  1.250
   60    39   465.000  1.376
   39    42   230.000  1.545
   42    43   656.000  1.250
   42    44   656.000  1.250
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  124.00000
   33    38    54    70.00000  124.00000
   33    39    60    70.00000  124.00000
   33    39    42    65.00000  117.04000
   38    33    34    85.00000  110.90400
   38    40    41    35.00000  120.00000
   38    40    45    80.00000  120.01400
   38    54    48    70.00000  124.00000
   38    54    59    70.00000  123.01800
   40    45    46    90.00000  111.18400
   45    40    41    55.00000  109.52600
   45    46    47    35.00000  109.50000
   45    46    48    50.00000  109.50000
   45    46    50    50.00000  109.50000
   46    48    49    37.50000  110.70000
   46    48    54    70.00000  112.02700
   46    48    55    58.35000  112.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    53    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    54    59    70.00000  124.00000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    37.50000  110.70000
   54    38    40    70.00000  123.01800
   54    48    49    35.00000  109.50000
   54    59    60    70.00000  117.34000
   54    59    62    70.00000  124.00000
   59    60    61    65.00000  137.10300
   59    60    39    70.00000  123.01800
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    35.00000  109.50000
   60    39    42    55.00000  124.75400
   39    33    34    85.00000  110.90400
   39    33    38    70.00000  110.12100
   39    60    61    65.00000  137.10300
   39    42    43    85.00000  113.83300
   39    42    44    85.00000  113.83300
   44    42    43    80.00000  126.00000
   62    59    60    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    54    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   50    46    47    37.50000  110.70000
   50    46    48    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    54   0.42700  1.0 1.0
   29    33    38    54  -0.70350 -1.0 2.0
   29    33    38    54  -0.43150  1.0 3.0
   29    33    39    60   0.42700  1.0 1.0
   29    33    39    60  -0.70350 -1.0 2.0
   29    33    39    60  -0.43150  1.0 3.0
   29    33    39    42   0.09700  1.0 1.0
   29    33    39    42   0.15600 -1.0 2.0
   29    33    39    42  -0.50800  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    45   7.00000 -1.0 2.0
   33    38    54    48   0.35650  1.0 1.0
   33    38    54    48   0.31450 -1.0 2.0
   33    38    54    59  -0.18600  1.0 3.0
   33    39    42    43  -0.64400  1.0 1.0
   33    39    42    43   0.26850 -1.0 2.0
   33    39    42    44  -0.64400  1.0 1.0
   33    39    42    44   0.26850 -1.0 2.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    38    54   0.39000  1.0 1.0
   34    33    38    54  -0.05800 -1.0 2.0
   34    33    38    54  -0.55150  1.0 3.0
   34    33    39    60   0.39000  1.0 1.0
   34    33    39    60  -0.05800 -1.0 2.0
   34    33    39    60  -0.55150  1.0 3.0
   34    33    39    42   0.09700  1.0 1.0
   34    33    39    42   0.15600 -1.0 2.0
   34    33    39    42  -0.50800  1.0 3.0
   38    33    39    60  -0.28300  1.0 1.0
   38    33    39    60   0.26700 -1.0 2.0
   38    33    39    60  -0.63300  1.0 3.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    40    45    46  -2.26850  1.0 1.0
   38    40    45    46   3.39050 -1.0 2.0
   38    54   -59    60   7.00000 -1.0 2.0
   38    54    59    62   7.00000 -1.0 2.0
   40    38    54    48  -0.18600  1.0 3.0
   40    38    54    59   0.28850  1.0 1.0
   40    38    54    59   2.61350 -1.0 2.0
   40    38    54    59   0.78400  1.0 3.0
   40    45    46    47   0.08050  1.0 3.0
   40    45   -46    48  -0.46850  1.0 1.0
   40    45   -46    48   0.09300 -1.0 2.0
   40    45   -46    48  -0.12850  1.0 3.0
   40    45    46    50  -0.46850  1.0 1.0
   40    45    46    50   0.09300 -1.0 2.0
   40    45    46    50  -0.12850  1.0 3.0
   41    40    45    46   0.50000 -1.0 2.0
   45    46    48    49   0.23400  1.0 3.0
   45    46    48    54   0.61850  1.0 1.0
   45    46    48    54  -0.22750 -1.0 2.0
   45    46    48    54   0.15300  1.0 3.0
   45    46    48    55   0.62750  1.0 1.0
   45    46    48    55  -0.30950 -1.0 2.0
   45    46    48    55   0.27300  1.0 3.0
   45    46    50    51   0.23400  1.0 3.0
   45    46    50    52   0.23400  1.0 3.0
   45    46    50    53   0.23400  1.0 3.0
   46    48   -54    38   0.98200  1.0 1.0
   46    48   -54    38  -0.11900 -1.0 2.0
   46    48   -54    38   0.24250  1.0 3.0
   46    48    54    59   0.09850  1.0 1.0
   46    48    54    59   0.15250 -1.0 2.0
   46    48    54    59  -0.50650  1.0 3.0
   46    48    55    56   0.15000  1.0 3.0
   46    48    55    57   0.15000  1.0 3.0
   46    48    55    58   0.15000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    54   0.15000  1.0 3.0
   47    46    48    55   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    53   0.15000  1.0 3.0
   48    54    59    60   7.00000 -1.0 2.0
   48    54    59    62   7.00000 -1.0 2.0
   49    48    54    38   0.00000  1.0 1.0
   49    48    54    59   0.00000  1.0 1.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   49    48    55    58   0.15000  1.0 3.0
   54    38    40    41   7.00000 -1.0 2.0
   54    38   -40    45   7.00000 -1.0 2.0
   54    48    55    56   0.15000  1.0 3.0
   54    48    55    57   0.15000  1.0 3.0
   54    48    55    58   0.15000  1.0 3.0
   54    59    60    61   7.00000 -1.0 2.0
   54    59    60    39   7.00000 -1.0 2.0
   54    59    62    63   0.00000  1.0 1.0
   54    59    62    64   0.00000  1.0 1.0
   54    59    62    65   0.00000  1.0 1.0
   59    60   -39    33   7.00000 -1.0 2.0
   59    60    39    42   7.00000 -1.0 2.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    64   0.00000  1.0 1.0
   60    59    62    65   0.00000  1.0 1.0
   60    39    42    43  -0.04000 -1.0 2.0
   60    39    42    43  -0.29050  1.0 3.0
   60    39    42    44  -0.04000 -1.0 2.0
   60    39    42    44  -0.29050  1.0 3.0
   61    60    39    33   7.00000 -1.0 2.0
   61    60    39    42   7.00000 -1.0 2.0
   39    33    38    40  -0.28300  1.0 1.0
   39    33    38    40   0.26700 -1.0 2.0
   39    33    38    40  -0.63300  1.0 3.0
   39    33   -38    54  -0.28300  1.0 1.0
   39    33   -38    54   0.26700 -1.0 2.0
   39    33   -38    54  -0.63300  1.0 3.0
   62    59    60    61   7.00000 -1.0 2.0
   62    59    60    39   7.00000 -1.0 2.0
   55    48    54    38   0.98200  1.0 1.0
   55    48    54    38  -0.11900 -1.0 2.0
   55    48    54    38   0.24250  1.0 3.0
   55    48    54    59   0.09850  1.0 1.0
   55    48    54    59   0.15250 -1.0 2.0
   55    48    54    59  -0.50650  1.0 3.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    54   0.34400  1.0 1.0
   50    46    48    54   0.09450 -1.0 2.0
   50    46    48    54   0.11100  1.0 3.0
   50    46    48    55   0.56750  1.0 1.0
   50    46    48    55  -0.07550 -1.0 2.0
   50    46    48    55   0.20000  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
   36    30    35    37  10.50000 -1.0 2.0
   33    54    38    40   1.10000 -1.0 2.0
   45    41    40    38   1.10000 -1.0 2.0
   38    48    54    59   1.10000 -1.0 2.0
   60    62    59    54   1.10000 -1.0 2.0
   59    61    60    39   1.10000 -1.0 2.0
   33    42    39    60   1.10000 -1.0 2.0
   43    39    42    44  10.50000 -1.0 2.0
END
