* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    126    188     377
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02007    63.01657    77.41651
    3     1 S   H    _H1_     3     1.02095    49.35866  -127.02494
    4     1 S   H    _H2_     4     1.02111   105.94158   -25.84308
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C9_    36     1.83201    97.60638   -78.12752
   34    33 S   HC   _H3_    37     1.12302   104.56981    36.63437
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C7_    38     1.54073   110.68828   -80.03676
   39    38 S   HC   _H28    39     1.09711   110.13723    44.27441
   40    38 S   CT   _C5_    40     1.53465   112.34874   -77.14380
   41    40 S   HC   _H26    41     1.12336   109.89687    68.40518
   42    38 S   OS   _O19    66     1.43134   108.91322   161.95898
   43    40 S   CT   _C4_    42     1.53378   113.15628   -54.03943
   44    43 S   HC   _H25    43     1.10626   109.12541   174.95414
   45    40 S   OH   _O33    64     1.42570   110.22749  -176.57292
   46    45 S   HO   _H32    65     0.96796   106.15370  -175.20172
   47    42 S   P1   _P23    67     1.61418   118.16032   -77.09534
   48    47 S   O2Z  _O8_    68     1.50036   115.19252   -40.02488
   49    43 S   CT   _C6_    44     1.53448   111.34101    54.82507
   50    49 S   HC   _H27    45     1.11624   109.71787  -173.56462
   51    43 S   OH   _O10    62     1.42612   110.98884   -67.90409
   52    51 S   HO   _H31    63     0.96996   106.42546   179.96574
   53    47 S   OS   _O14    69     1.61738   103.85115  -167.02567
   54    53 S   HO   _H35    70     0.98055   118.99751  -173.09056
   55    47 S   OS   _O15    71     1.61695   102.62538    85.69000
   56    55 S   HO   _H36    72     0.98075   119.03131   174.21094
   57    33 S   CT   _C8_    46     1.54670   111.31351   153.66117
   58    57 S   HC   _H29    47     1.10828   110.33557   -43.35426
   59    49 S   OS   _O18    55     1.42535   109.49977    71.35504
   60    57 S   OS   _O20    48     1.43156   108.71232  -159.54848
   61    59 S   P1   _P22    56     1.61250   118.04029    79.96714
   62    61 S   O2Z  _O7_    57     1.49999   115.22303    40.04528
   63    60 S   P1   _P24    49     1.61247   118.08203   154.93030
   64    63 S   O2Z  _O9_    50     1.50111   115.21307    59.98049
   65    61 S   OS   _O34    58     1.61751   103.83696   -87.10013
   66    65 S   HO   _H33    59     0.98080   118.89291  -172.97418
   67    61 S   OS   _O13    60     1.61724   102.42773   165.67379
   68    67 S   HO   _H34    61     0.98083   118.92264   174.23605
   69    63 S   OS   _O16    51     1.61811   103.86530   -67.05330
   70    69 S   HO   _H37    52     0.98048   118.93506  -172.94559
   71    63 S   OS   _O17    53     1.61647   102.52927  -174.34840
   72    71 S   HO   _H38    54     0.98059   119.01997   174.27228
  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
  16   8   2   1   1  17   7  13   7   9  12   7   3   1   5   4
  12   6   3   1   3   1   1   1   8   3   7   6   5   4   5   4
   3   1   1   1   3   1   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    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    57    58    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    57    58    60    63    59    45    42    47  
   38    39    40    49    57    58    60    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    57    58    60    51    45    46    42    47    48    53    55  
   40    41    43    57    45    42    47  
   41    43    44    49    50    57    59    51    52    45    46    42    47  
   43    44    49    51    45    46    42  
   47    48    53    54    55    56    43    45    57  
   44    49    50    57    58    60    59    61    51    52    45    46  
   49    50    57    59    51    52    45  
   46    49    51  
    0  
   48    53    54    55    56  
   53    54    55    56  
   50    57    58    60    63    59    61    62    65    67    51    52  
   57    58    60    59    61    51  
   52    57    59  
    0  
   54    55    56  
   55  
   56  
    0  
   58    60    63    64    69    71    59    61  
   60    63    59  
   61    62    65    66    67    68    60  
   63    64    69    70    71    72  
   62    65    66    67    68  
   65    66    67    68  
   64    69    70    71    72  
   69    70    71    72  
   66    67    68  
   67  
   68  
    0  
   70    71    72  
   71  
   72  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   55   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   60   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   62   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   63   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   65   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   67   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   69   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   72   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    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   340.000  1.090
   33    38   268.000  1.529
   33    57   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    57   268.000  1.529
   49    59   320.000  1.410
   57    58   340.000  1.090
   57    60   320.000  1.410
   60    63   405.000  1.623
   63    64   675.000  1.490
   63    69   405.000  1.623
   63    71   405.000  1.623
   69    70   553.000  0.945
   71    72   553.000  0.945
   59    61   405.000  1.623
   61    62   675.000  1.490
   61    65   405.000  1.623
   61    67   405.000  1.623
   65    66   553.000  0.945
   67    68   553.000  0.945
   51    52   553.000  0.945
   45    46   553.000  0.945
   42    47   405.000  1.623
   47    48   675.000  1.490
   47    53   405.000  1.623
   47    55   405.000  1.623
   53    54   553.000  0.945
   55    56   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    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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    57    49    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    60    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    47    75.00000  119.24600
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    57    58.35000  112.70000
   43    49    59    50.00000  109.50000
   43    51    52    55.00000  108.50000
   49    43    44    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    60    50.00000  109.50000
   49    59    61    75.00000  119.24600
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    49    50    37.50000  110.70000
   57    60    63    75.00000  119.24600
   60    57    58    35.00000  109.50000
   60    63    64   100.00000  115.86100
   60    63    69   120.00000  102.38000
   60    63    71   120.00000  102.38000
   63    69    70    50.00000  113.86100
   63    71    72    50.00000  113.86100
   69    63    64   100.00000  115.86100
   71    63    64   100.00000  115.86100
   71    63    69   120.00000  102.38000
   59    49    50    35.00000  109.50000
   59    49    57    50.00000  109.50000
   59    61    62   100.00000  115.86100
   59    61    65   120.00000  102.38000
   59    61    67   120.00000  102.38000
   61    65    66    50.00000  113.86100
   61    67    68    50.00000  113.86100
   65    61    62   100.00000  115.86100
   67    61    62   100.00000  115.86100
   67    61    65   120.00000  102.38000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48   100.00000  115.86100
   42    47    53   120.00000  102.38000
   42    47    55   120.00000  102.38000
   47    53    54    50.00000  113.86100
   47    55    56    50.00000  113.86100
   53    47    48   100.00000  115.86100
   55    47    48   100.00000  115.86100
   55    47    53   120.00000  102.38000
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   0.32350  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
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    57    49   0.44750  1.0 1.0
   29    33    57    49  -0.17800 -1.0 2.0
   29    33    57    49   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    60   0.56750  1.0 1.0
   29    33    57    60  -0.07550 -1.0 2.0
   29    33    57    60   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    57    60    63  -2.65550  1.0 1.0
   33    57    60    63  -0.22350 -1.0 2.0
   33    57    60    63   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    57    49   0.15000  1.0 3.0
   34    33    57    58   0.15000  1.0 3.0
   34    33    57    60   0.23400  1.0 3.0
   38    33    57    49   0.56750  1.0 1.0
   38    33    57    49  -0.07550 -1.0 2.0
   38    33    57    49   0.20000  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    60   0.62750  1.0 1.0
   38    33    57    60  -0.30950 -1.0 2.0
   38    33    57    60   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.86500  1.0 1.0
   38    40    43    51  -0.17500 -1.0 2.0
   38    40    43    51   0.20800  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    53   0.91800  1.0 1.0
   38    42    47    53   0.22900 -1.0 2.0
   38    42    47    53   0.32050  1.0 3.0
   38    42    47    55   0.91800  1.0 1.0
   38    42    47    55   0.22900 -1.0 2.0
   38    42    47    55   0.32050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    57   0.56750  1.0 1.0
   40    43    49    57  -0.07550 -1.0 2.0
   40    43    49    57   0.20000  1.0 3.0
   40    43    49    59   0.62750  1.0 1.0
   40    43    49    59  -0.30950 -1.0 2.0
   40    43    49    59   0.27300  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    49   -57    33   0.56750  1.0 1.0
   43    49   -57    33  -0.07550 -1.0 2.0
   43    49   -57    33   0.20000  1.0 3.0
   43    49    57    58   0.15000  1.0 3.0
   43    49    57    60   0.62750  1.0 1.0
   43    49    57    60  -0.30950 -1.0 2.0
   43    49    57    60   0.27300  1.0 3.0
   43    49    59    61  -2.65550  1.0 1.0
   43    49    59    61  -0.22350 -1.0 2.0
   43    49    59    61   0.24150  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    57   0.15000  1.0 3.0
   44    43    49    59   0.23400  1.0 3.0
   44    43    51    52   0.19450  1.0 3.0
   49    43    51    52  -0.11600  1.0 1.0
   49    43    51    52  -0.09450 -1.0 2.0
   49    43    51    52   0.21250  1.0 3.0
   49    57    60    63  -2.65550  1.0 1.0
   49    57    60    63  -0.22350 -1.0 2.0
   49    57    60    63   0.24150  1.0 3.0
   49    59    61    62   0.00000  1.0 1.0
   49    59    61    65   0.91800  1.0 1.0
   49    59    61    65   0.22900 -1.0 2.0
   49    59    61    65   0.32050  1.0 3.0
   49    59    61    67   0.91800  1.0 1.0
   49    59    61    67   0.22900 -1.0 2.0
   49    59    61    67   0.32050  1.0 3.0
   50    49    57    33   0.15000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    60   0.23400  1.0 3.0
   50    49    59    61   0.03000  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40   0.56750  1.0 1.0
   57    33   -38    40  -0.07550 -1.0 2.0
   57    33   -38    40   0.20000  1.0 3.0
   57    33    38    42   0.62750  1.0 1.0
   57    33    38    42  -0.30950 -1.0 2.0
   57    33    38    42   0.27300  1.0 3.0
   57    49    59    61  -2.65550  1.0 1.0
   57    49    59    61  -0.22350 -1.0 2.0
   57    49    59    61   0.24150  1.0 3.0
   57    60    63    64   0.00000  1.0 1.0
   57    60    63    69   0.91800  1.0 1.0
   57    60    63    69   0.22900 -1.0 2.0
   57    60    63    69   0.32050  1.0 3.0
   57    60    63    71   0.91800  1.0 1.0
   57    60    63    71   0.22900 -1.0 2.0
   57    60    63    71   0.32050  1.0 3.0
   58    57    60    63   0.03000  1.0 3.0
   60    63    69    70  -0.22900  1.0 1.0
   60    63    69    70   0.09450 -1.0 2.0
   60    63    69    70  -0.07800  1.0 3.0
   60    63    71    72  -0.22900  1.0 1.0
   60    63    71    72   0.09450 -1.0 2.0
   60    63    71    72  -0.07800  1.0 3.0
   64    63    69    70   0.00000  1.0 1.0
   64    63    71    72   0.00000  1.0 1.0
   69    63    71    72  -0.22900  1.0 1.0
   69    63    71    72   0.09450 -1.0 2.0
   69    63    71    72  -0.07800  1.0 3.0
   71    63    69    70  -0.22900  1.0 1.0
   71    63    69    70   0.09450 -1.0 2.0
   71    63    69    70  -0.07800  1.0 3.0
   59    49    57    33   0.62750  1.0 1.0
   59    49    57    33  -0.30950 -1.0 2.0
   59    49    57    33   0.27300  1.0 3.0
   59    49    57    58   0.23400  1.0 3.0
   59    49    57    60   1.11900  1.0 1.0
   59    49    57    60  -1.16350 -1.0 2.0
   59    49    57    60  -0.34150  1.0 3.0
   59    61    65    66  -0.22900  1.0 1.0
   59    61    65    66   0.09450 -1.0 2.0
   59    61    65    66  -0.07800  1.0 3.0
   59    61    67    68  -0.22900  1.0 1.0
   59    61    67    68   0.09450 -1.0 2.0
   59    61    67    68  -0.07800  1.0 3.0
   62    61    65    66   0.00000  1.0 1.0
   62    61    67    68   0.00000  1.0 1.0
   65    61    67    68  -0.22900  1.0 1.0
   65    61    67    68   0.09450 -1.0 2.0
   65    61    67    68  -0.07800  1.0 3.0
   67    61    65    66  -0.22900  1.0 1.0
   67    61    65    66   0.09450 -1.0 2.0
   67    61    65    66  -0.07800  1.0 3.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    57   0.86500  1.0 1.0
   51    43    49    57  -0.17500 -1.0 2.0
   51    43    49    57   0.20800  1.0 3.0
   51    43    49    59   3.69350  1.0 1.0
   51    43    49    59  -1.82950 -1.0 2.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.86500  1.0 1.0
   45    40    43    49  -0.17500 -1.0 2.0
   45    40    43    49   0.20800  1.0 3.0
   45    40    43    51   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
   42    47    53    54  -0.22900  1.0 1.0
   42    47    53    54   0.09450 -1.0 2.0
   42    47    53    54  -0.07800  1.0 3.0
   42    47    55    56  -0.22900  1.0 1.0
   42    47    55    56   0.09450 -1.0 2.0
   42    47    55    56  -0.07800  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    55    56   0.00000  1.0 1.0
   53    47    55    56  -0.22900  1.0 1.0
   53    47    55    56   0.09450 -1.0 2.0
   53    47    55    56  -0.07800  1.0 3.0
   55    47    53    54  -0.22900  1.0 1.0
   55    47    53    54   0.09450 -1.0 2.0
   55    47    53    54  -0.07800  1.0 3.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
END
