* LIGAND DATABASE FILE (OPLS2005)
*
001      61    60    105    153     311
    1     0 S   NP   _N1_     1    28.91807    95.59113   -24.11539
    2     1 S   H    _HN1     2     1.02793   112.63708   -96.70263
    3     1 S   H    _H1_     3     1.02947    75.19694     7.36919
    4     1 S   H    _H2_     4     1.02827    32.57665   175.27287
    5     1 S   CT   _CA1     5     1.50121   129.76534   111.81369
    6     5 S   HC   _HA1     6     1.09573   105.16373    90.26223
    7     5 S   CO3  _C1_     7     1.53771   112.50629   -29.94621
    8     7 S   O2Z  _O11     8     1.26375   115.00541   -41.73982
    9     7 S   O2Z  _O12     9     1.26240   114.94406   137.32850
   10     5 S   CT   _CB1    10     1.53066   107.41160  -151.75675
   11    10 S   HC   HB11    11     1.09839   109.32838   -49.40540
   12    10 S   HC   HB12    12     1.09811   110.46888    67.19245
   13    10 S   CT   _CG1    13     1.53014   112.63806  -170.35131
   14    13 S   HC   HG11    14     1.09570   110.71570   -67.30200
   15    13 S   HC   HG12    15     1.09671   109.70534    51.94266
   16    13 S   C    _CD1    16     1.51808   112.04982   172.42086
   17    16 S   O    _OE1    17     1.22749   123.20779    11.57391
   18    16 S   N    _N2_    18     1.38654   111.79871  -168.43437
   19    18 S   H    _HN2    19     1.01570   118.96256     1.29150
   20    18 S   CT1  _CA2    20     1.46225   123.38329   176.54396
   21    20 S   HC   _HA2    21     1.09740   109.30253     7.14509
   22    20 S   C    _C2_    22     1.53681   108.71306  -108.31479
   23    22 S   O    _O2_    23     1.23075   122.27964  -148.02796
   24    20 S   CT   _CB2    32     1.53400   111.69124   129.15837
   25    24 S   HC   HB21    33     1.09555   109.87223    56.40416
   26    24 S   HC   HB22    34     1.09365   109.77750   175.18598
   27    22 S   N    _N3_    24     1.38324   113.83057    39.43231
   28    27 S   H    _HN3    25     1.01547   119.63166    -3.04414
   29    24 S   S    _SG2    35     1.82908   111.38441   -64.31477
   30    27 S   CT   _CA3    26     1.45288   123.28402   177.27164
   31    30 S   HC   HA31    27     1.09546   107.49552   -65.28697
   32    30 S   HC   HA32    28     1.09555   108.01867    51.17765
   33    29 S   CT   _C8_    36     1.85638   100.53909  -176.22421
   34    30 S   CO3  _C3_    29     1.52979   114.03405   173.19240
   35    34 S   O2Z  _O31    30     1.26384   116.07384    -0.42842
   36    34 S   O2Z  _O32    31     1.26424   114.41922   179.63150
   37    33 S   CO3  _C9_    37     1.55605   100.13859  -158.33331
   38    37 S   O2Z  _O40    38     1.26779   115.01461    91.88249
   39    37 S   O2Z  _O39    39     1.26441   116.20422   -88.42931
   40    33 S   CT   _C4_    40     1.54110   109.76132    79.02247
   41    40 S   HC   _H3_    41     1.09786   109.69526    64.29205
   42    40 S   HC   _H4_    42     1.09789   107.90869   -51.16719
   43    33 S   OH   _O41    60     1.42625   110.47438   -43.71189
   44    43 S   HO   _H12    61     0.97421   106.45813   -69.12589
   45    40 S   CT   _C5_    43     1.56019   117.74566  -170.41612
   46    45 S   CT   _C6_    44     1.53709   112.26201   -59.82684
   47    46 S   HC   _H5_    45     1.09388   110.89653    68.37187
   48    46 S   HC   _H6_    46     1.09431   111.28124   -53.82439
   49    45 S   CT   _C7_    49     1.54351   109.33589   176.03118
   50    49 S   HC   _H8_    50     1.09712   109.79727   -57.73599
   51    49 S   HC   _H9_    51     1.09588   111.24422  -174.63922
   52    45 S   OH   _O38    58     1.43395   109.75962    59.57549
   53    52 S   HO   _H11    59     0.97211   108.03066    47.10242
   54    46 S   OH   _O33    47     1.42699   110.81922  -173.66959
   55    54 S   HO   _H7_    48     0.97216   106.80187   179.55107
   56    49 S   OS   _O34    52     1.42088   110.83758    64.45531
   57    56 S   P2   _P1_    53     1.63083   119.05276  -147.78280
   58    57 S   O2Z  _O37    54     1.51148   108.59756  -177.39451
   59    57 S   O2Z  _O35    55     1.51153   109.91664   -43.07174
   60    57 S   OS   _O36    56     1.63126    99.04099    70.64294
   61    60 S   HO   _H10    57     0.97897   115.95633    80.79782
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  12   2   1   1   8   3   2  15   6   5   2   1  12  10   5   4
  10   4   3   3   1   1   1   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    45    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    45    46    49    52    43    44  
   35    36  
   36  
    0  
   38    39    40    41    42    45    43    44  
   39    40    43  
   40    43  
   41    42    45    46    47    48    54    49    50    51    56    52    53    43    44  
   42    45    46    49    52    43  
   45    46    49    52    43  
   44    45  
    0  
   46    47    48    54    55    49    50    51    56    57    52    53  
   47    48    54    55    49    50    51    56    52    53  
   48    54    55    49    52  
   54    55    49    52  
   50    51    56    57    58    59    60    52    53    54  
   51    56    57    52  
   56    57    52  
   53    54    56  
    0  
   55  
    0  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    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   0.332500   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   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.522
   33    40   268.000  1.529
   33    43   320.000  1.410
   37    38   656.000  1.250
   37    39   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   268.000  1.529
   45    49   268.000  1.529
   45    52   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   320.000  1.410
   54    55   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   320.000  1.410
   56    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    60   230.000  1.697
   60    61   553.000  0.945
   52    53   553.000  0.945
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    70.00000  116.78000
   29    33    40    75.00000  111.63000
   29    33    43    85.00000  114.68000
   33    37    38    70.00000  117.00000
   33    37    39    70.00000  117.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    58.35000  112.70000
   33    43    44    55.00000  108.50000
   39    37    38    80.00000  126.00000
   40    33    37    70.00000  109.69300
   40    45    46    58.35000  112.70000
   40    45    49    58.35000  112.70000
   40    45    52    50.00000  109.50000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    46    47    37.50000  110.70000
   45    46    48    37.50000  110.70000
   45    46    54    50.00000  109.50000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    56    50.00000  109.50000
   45    52    53    55.00000  108.50000
   46    54    55    55.00000  108.50000
   48    46    47    33.00000  107.80000
   54    46    47    35.00000  109.50000
   54    46    48    35.00000  109.50000
   49    45    46    58.35000  112.70000
   49    56    57   100.00000  120.50000
   51    49    50    33.00000  107.80000
   56    49    50    35.00000  109.50000
   56    49    51    35.00000  109.50000
   56    57    58   100.00000  108.23000
   56    57    59   100.00000  108.23000
   56    57    60    45.00000  102.60000
   57    60    61    45.00000  108.50000
   59    57    58   140.00000  119.90000
   60    57    58   100.00000  108.23000
   60    57    59   100.00000  108.23000
   52    45    46    50.00000  109.50000
   52    45    49    50.00000  109.50000
   43    33    37    95.00000  109.52300
   43    33    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  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    38   0.30150 -1.0 2.0
   29    33    37    39   0.30150 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   29    33    43    44   0.35600  1.0 1.0
   29    33    43    44  -0.10750 -1.0 2.0
   29    33    43    44  -0.54400  1.0 3.0
   33    40    45    46   0.56750  1.0 1.0
   33    40    45    46  -0.07550 -1.0 2.0
   33    40    45    46   0.20000  1.0 3.0
   33    40    45    49   0.56750  1.0 1.0
   33    40    45    49  -0.07550 -1.0 2.0
   33    40    45    49   0.20000  1.0 3.0
   33    40    45    52   0.86500  1.0 1.0
   33    40    45    52  -0.17500 -1.0 2.0
   33    40    45    52   0.20800  1.0 3.0
   37    33    40    41  -0.11250  1.0 3.0
   37    33    40    42  -0.11250  1.0 3.0
   37    33    40    45  -1.63150  1.0 1.0
   37    33    40    45  -0.43550 -1.0 2.0
   37    33    40    45   0.24500  1.0 3.0
   37    33    43    44   0.91850  1.0 1.0
   37    33    43    44   0.57950  1.0 3.0
   40    33    37    38   0.41150 -1.0 2.0
   40    33    37    39   0.41150 -1.0 2.0
   40    33    43    44  -0.11600  1.0 1.0
   40    33    43    44  -0.09450 -1.0 2.0
   40    33    43    44   0.21250  1.0 3.0
   40    45    46    47   0.15000  1.0 3.0
   40    45    46    48   0.15000  1.0 3.0
   40    45    46    54   0.86500  1.0 1.0
   40    45    46    54  -0.17500 -1.0 2.0
   40    45    46    54   0.20800  1.0 3.0
   40    45    49    50   0.15000  1.0 3.0
   40    45    49    51   0.15000  1.0 3.0
   40    45    49    56   0.62750  1.0 1.0
   40    45    49    56  -0.30950 -1.0 2.0
   40    45    49    56   0.27300  1.0 3.0
   40    45    52    53  -0.11600  1.0 1.0
   40    45    52    53  -0.09450 -1.0 2.0
   40    45    52    53   0.21250  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    49   0.15000  1.0 3.0
   41    40    45    52   0.23400  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    49   0.15000  1.0 3.0
   42    40    45    52   0.23400  1.0 3.0
   45    46    54    55  -0.11600  1.0 1.0
   45    46    54    55  -0.09450 -1.0 2.0
   45    46    54    55   0.21250  1.0 3.0
   45    49    56    57  -2.65550  1.0 1.0
   45    49    56    57  -0.22350 -1.0 2.0
   45    49    56    57   0.24150  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    56   0.62750  1.0 1.0
   46    45    49    56  -0.30950 -1.0 2.0
   46    45    49    56   0.27300  1.0 3.0
   46    45    52    53  -0.11600  1.0 1.0
   46    45    52    53  -0.09450 -1.0 2.0
   46    45    52    53   0.21250  1.0 3.0
   47    46    54    55   0.19450  1.0 3.0
   48    46    54    55   0.19450  1.0 3.0
   49    45    46    47   0.15000  1.0 3.0
   49    45    46    48   0.15000  1.0 3.0
   49    45    46    54   0.86500  1.0 1.0
   49    45    46    54  -0.17500 -1.0 2.0
   49    45    46    54   0.20800  1.0 3.0
   49    45    52    53  -0.11600  1.0 1.0
   49    45    52    53  -0.09450 -1.0 2.0
   49    45    52    53   0.21250  1.0 3.0
   49    56    57    58   0.00000  1.0 1.0
   49    56    57    59   0.00000  1.0 1.0
   49    56    57    60   0.05050  1.0 1.0
   49    56    57    60  -1.30700 -1.0 2.0
   49    56    57    60   0.91550  1.0 3.0
   50    49    56    57   0.03000  1.0 3.0
   51    49    56    57   0.03000  1.0 3.0
   56    57    60    61   0.00000  1.0 1.0
   58    57    60    61   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   52    45    46    47   0.23400  1.0 3.0
   52    45    46    48   0.23400  1.0 3.0
   52    45    46    54   3.75450  1.0 1.0
   52    45    49    50   0.23400  1.0 3.0
   52    45    49    51   0.23400  1.0 3.0
   52    45    49    56   3.69350  1.0 1.0
   52    45    49    56  -1.82950 -1.0 2.0
   43    33    37    38   0.30150 -1.0 2.0
   43    33    37    39   0.30150 -1.0 2.0
   43    33    40    41   0.23400  1.0 3.0
   43    33    40    42   0.23400  1.0 3.0
   43    33    40    45   0.86500  1.0 1.0
   43    33    40    45  -0.17500 -1.0 2.0
   43    33    40    45   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   38    33    37    39  10.50000 -1.0 2.0
END
