* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    163    255     478
    1     0 S   NP   _N1_     1    28.48569    94.98781   -22.25431
    2     1 S   H    _HN1     2     1.02778    96.05557   -86.08440
    3     1 S   H    _H1_     3     1.02959    83.97249    21.78049
    4     1 S   H    _H2_     4     1.02836    31.50588   159.18783
    5     1 S   CT   _CA1     5     1.50118   140.74643   136.89218
    6     5 S   HC   _HA1     6     1.09576   105.22505    71.38473
    7     5 S   CO3  _C1_     7     1.53776   112.40595   -48.80729
    8     7 S   O2Z  _O11     8     1.26357   115.00281   -43.68445
    9     7 S   O2Z  _O12     9     1.26240   114.91713   135.49584
   10     5 S   CT   _CB1    10     1.53096   107.42906  -170.72388
   11    10 S   HC   HB11    11     1.09825   109.29371   -51.00494
   12    10 S   HC   HB12    12     1.09818   110.42959    65.53220
   13    10 S   CT   _CG1    13     1.53014   112.69006  -172.11743
   14    13 S   HC   HG11    14     1.09595   110.45183   -64.47056
   15    13 S   HC   HG12    15     1.09656   109.96313    54.74758
   16    13 S   C    _CD1    16     1.51824   112.33410   175.07308
   17    16 S   O    _OE1    17     1.22717   123.26756    -1.28998
   18    16 S   N    _N2_    18     1.38638   111.64083   178.97779
   19    18 S   H    _HN2    19     1.01583   119.01170     1.17836
   20    18 S   CT1  _CA2    20     1.46156   123.37747   179.28618
   21    20 S   HC   _HA2    21     1.09720   109.45012    -4.56253
   22    20 S   C    _C2_    22     1.53516   108.55178  -120.32452
   23    22 S   O    _O2_    23     1.23048   122.15207  -146.94028
   24    20 S   CT   _CB2    32     1.53324   111.59506   117.55761
   25    24 S   HC   HB21    33     1.09515   109.80621    56.00258
   26    24 S   HC   HB22    34     1.09389   109.95344   174.96184
   27    22 S   N    _N3_    24     1.38447   113.65245    40.40135
   28    27 S   H    _HN3    25     1.01497   119.01437    -0.20842
   29    24 S   S    _SG2    35     1.82577   112.24793   -64.58328
   30    27 S   CT   _CA3    26     1.45428   123.27398   175.46167
   31    30 S   HC   HA31    27     1.09536   109.10930    27.64727
   32    30 S   HC   HA32    28     1.09494   107.18137   144.59821
   33    29 S   CT   _C22    36     1.82929    99.31274   176.22810
   34    33 S   HC   _H3_    37     1.09553   106.20485  -160.99565
   35    33 S   HC   _H4_    38     1.09165   107.39317   -47.07069
   36    30 S   CO3  _C3_    29     1.52900   113.06940   -95.74585
   37    36 S   O2Z  _O31    30     1.26400   115.34226   -46.98083
   38    36 S   O2Z  _O32    31     1.26348   115.01291   133.91658
   39    33 S   CT   _C15    39     1.53569   112.73872    77.47940
   40    39 S   HC   _H41    40     1.09493   112.82309   -44.26857
   41    39 S   CO4  _C6_    41     1.51128   109.27899    77.81610
   42    41 S   O    _O20    42     1.22089   125.98232   -81.79294
   43    41 S   OS   _O22    43     1.36729   109.70135    96.61577
   44    43 S   CT   _C14    44     1.44039   109.73194     1.28497
   45    44 S   HC   _H40    45     1.09462   106.60409   -94.22863
   46    44 S   CM   _C4_    46     1.49440   107.52486   145.60846
   47    46 S   HC   _H29    47     1.08918   115.28636   -51.00965
   48    39 S   CT   _C16    63     1.54740   115.62075  -170.23491
   49    48 S   HC   _H42    64     1.10203   105.60074   167.03857
   50    46 S   CM   _C5_    48     1.34818   125.90692   134.22979
   51    50 S   CT   _C10    49     1.51354   119.37146   168.03537
   52    51 S   HC   _H32    50     1.09786   110.22321    19.32933
   53    51 S   HC   _H33    51     1.09601   110.51819   136.26892
   54    50 S   CT   _C11    80     1.50824   123.74580    -0.88867
   55    54 S   HC   _H34    81     1.09608   112.31918   177.27775
   56    54 S   HC   _H35    82     1.09590   109.05875   -65.22696
   57    51 S   CT   _C12    52     1.53848   110.82883  -100.97086
   58    57 S   HC   _H36    53     1.09635   109.08578   163.67944
   59    57 S   HC   _H37    54     1.09536   109.98012   -80.59292
   60    57 S   C3T  _C17    55     1.49901   111.00877    43.28813
   61    60 S   HC   _H43    56     1.08294   112.55023    70.53681
   62    60 S   C3T  _C20    57     1.53771   121.43330   -80.00151
   63    62 S   CT   _C13    58     1.51310   117.22318   155.35034
   64    63 S   HC   _H38    59     1.09897   106.41001   115.81522
   65    63 S   HC   _H39    60     1.09848   110.17704     3.76536
   66    62 S   CO   _C19    77     1.51861   122.20604   -10.42908
   67    66 S   HC   _H45    78     1.09581   111.69755   -31.58774
   68    60 S   O3T  _O24    85     1.41929   117.04978  -148.20747
   69    63 S   CT   _C18    61     1.54667   118.61298  -121.79186
   70    69 S   HC   _H44    62     1.09395   111.68825   -46.71712
   71    66 S   OS   _O23    79     1.42831   111.25514    91.29800
   72    66 S   OH   _O25    83     1.42742   108.50039  -148.26982
   73    72 S   HO   _H50    84     0.97164   106.88292   156.32288
   74    69 S   OS   _O27    65     1.46321   104.39990  -164.22530
   75    74 S   CO4  _C9_    66     1.35948   118.48054    88.15562
   76    75 S   O    _O21    67     1.22199   126.09396     3.44685
   77    75 S   CM   _C8_    68     1.48841   109.44577  -176.85870
   78    77 S   CM   _C7_    69     1.34182   117.00588  -161.80391
   79    78 S   HC   _H30    70     1.08568   120.90835   179.59749
   80    78 S   HC   _H31    71     1.08532   122.43569    -0.13122
   81    77 S   CT   _C21    72     1.49877   120.43461    17.62689
   82    81 S   HC   _H46    73     1.09485   111.01270   -57.70546
   83    81 S   HC   _H47    74     1.09526   111.60179  -178.07552
   84    81 S   OH   _O26    75     1.42191   109.37134    62.61381
   85    84 S   HO   _H51    76     0.97237   106.94155  -179.78878
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4  10
   4  12  13   6   5   8   3   2   8   5   4  11   4  12  11   6
   5   6   4   3   5   2   2   1   1   5   9   3   8   6   2   1
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    69    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    63    69    70    48    49    74  
   41    42    43    44    69    48    49  
   42    43    44    45    46    69    48    49  
   43    44    48  
   44    45    46    47    50    69    48    49  
   45    46    47    50    51    63    69    70    48    49    74    54  
   46    47    50    69    48    49  
   47    50    51    52    53    57    69    48    49    71    54    55    56  
   50    51    48    54  
   49    74    75    50    62    63    64    65    69    70  
   74    63    69    70  
   51    52    53    57    58    59    60    66    71    54    55    56  
   52    53    57    58    59    60    61    62    71    54    55    56    68  
   53    57    58    59    60    54  
   57    58    59    60    54  
   55    56    72    57    62    66    67    71  
   56    66    71  
   66    71  
   58    59    60    61    62    63    66    68  
   59    60    61    62    68  
   60    61    62    68  
   61    62    63    64    65    69    66    67    71    72    68  
   62    63    66    68  
   63    64    65    69    70    74    66    67    71    72    73    68  
   64    65    69    70    74    75    66    67    71    72    68  
   65    69    70    74    66    68  
   69    70    74    66    68  
   67    71    72    73    68    69  
   71    72    73    68  
   69    71    72  
   70    74    75    76    77  
   74    75  
   72    73  
   73  
    0  
   75    76    77    78    81  
   76    77    78    79    80    81    82    83    84  
   77    78    81  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84  
   80    81  
   81  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   66   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    54   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   275.000  1.510
   60    61   340.000  1.088
   60    62   260.000  1.509
   60    68   335.000  1.432
   62    63   275.000  1.510
   62    66   275.000  1.510
   62    68   335.000  1.432
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    48   268.000  1.529
   69    74   320.000  1.410
   48    49   340.000  1.090
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    81   317.000  1.510
   78    79   340.000  1.080
   78    80   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   320.000  1.410
   84    85   553.000  0.945
   66    67   340.000  1.090
   66    71   320.000  1.380
   66    72   380.000  1.407
   71    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   72    73   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    69    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    69    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    53    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    54    71    85.00000  110.90400
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    70.00000  112.37300
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    60    61    40.00000  115.04500
   57    60    62    60.00000  120.94000
   57    60    68    80.00000  116.47100
   59    57    58    33.00000  107.80000
   60    57    58    45.00000  109.38400
   60    57    59    45.00000  109.38400
   60    62    63    60.00000  120.94000
   60    62    66    60.00000  120.94000
   60    62    68    15.00000   60.43100
   60    68    62    15.00000   59.14900
   62    60    61    37.50000  117.20000
   62    63    64    45.00000  109.38400
   62    63    65    45.00000  109.38400
   62    63    69    70.00000  112.37300
   62    66    67    45.00000  112.01100
   62    66    71    90.00000  108.56700
   62    66    72    90.00000  110.19100
   63    69    70    37.50000  110.70000
   63    69    48    58.35000  112.70000
   63    69    74    50.00000  109.50000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    48    49    37.50000  110.70000
   69    74    75    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    69    70    37.50000  110.70000
   74    69    70    35.00000  109.50000
   74    69    48    50.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    81    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    80    35.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    90.00000  110.39200
   80    78    79    35.00000  117.00000
   81    77    78    70.00000  124.00000
   81    84    85    55.00000  108.50000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   66    62    63    75.00000  109.43000
   66    71    54    60.00000  109.50000
   66    72    73    70.00000  107.92000
   71    66    67    35.00000  109.50000
   71    54    55    35.00000  109.50000
   71    54    56    35.00000  109.50000
   54    50    51    65.00000  117.92700
   56    54    55    33.00000  107.80000
   72    66    67    60.00000  108.02500
   72    66    71   110.00000  112.08000
   68    60    61    50.00000  114.27700
   68    60    62    15.00000   60.43100
   68    62    63    80.00000  116.47100
   68    62    66    80.00000  116.47100
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    69   0.56750  1.0 1.0
   33    39    48    69  -0.07550 -1.0 2.0
   33    39    48    69   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    69   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    69  -0.95700  1.0 1.0
   41    39    48    69  -0.18200 -1.0 2.0
   41    39    48    69   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    69   0.62750  1.0 1.0
   43    44    48    69  -0.30950 -1.0 2.0
   43    44    48    69   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    54   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    69   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    69   0.34400  1.0 1.0
   46    44    48    69   0.09450 -1.0 2.0
   46    44    48    69   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    53   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    54    71   0.39000  1.0 1.0
   46    50    54    71  -0.05800 -1.0 2.0
   46    50    54    71  -0.55150  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    57    60   0.34400  1.0 1.0
   50    51    57    60   0.09450 -1.0 2.0
   50    51    57    60   0.11100  1.0 3.0
   51    50    54    71   0.09700  1.0 1.0
   51    50    54    71   0.15600 -1.0 2.0
   51    50    54    71  -0.50800  1.0 3.0
   51    50    54    55   0.34800  1.0 3.0
   51    50    54    56   0.34800  1.0 3.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.07850  1.0 1.0
   51    57    60    62  -0.03950 -1.0 2.0
   51    57    60    62   0.67350  1.0 3.0
   51    57    60    68   0.02550  1.0 1.0
   51    57    60    68  -0.02600 -1.0 2.0
   51    57    60    68   1.20400  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    60   0.15000  1.0 3.0
   57    60    62    63   0.56750  1.0 1.0
   57    60    62    63  -0.07550 -1.0 2.0
   57    60    62    63   0.20000  1.0 3.0
   57    60    62    66   3.97050  1.0 1.0
   57    60   -62    68   0.02550  1.0 1.0
   57    60   -62    68  -0.02600 -1.0 2.0
   57    60   -62    68   1.20400  1.0 3.0
   57    60   -68    62   0.06250  1.0 1.0
   57    60   -68    62  -0.01100 -1.0 2.0
   57    60   -68    62   0.28050  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    68   0.23400  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    68   0.23400  1.0 3.0
   60    62    63    64   0.15000  1.0 3.0
   60    62    63    65   0.15000  1.0 3.0
   60    62    63    69   0.07850  1.0 1.0
   60    62    63    69  -0.03950 -1.0 2.0
   60    62    63    69   0.67350  1.0 3.0
   60    62    66    67   0.15000  1.0 3.0
   60    62    66    71  -0.26800  1.0 1.0
   60    62    66    71   0.69150 -1.0 2.0
   60    62    66    71  -0.48750  1.0 3.0
   60    62    66    72   0.86500  1.0 1.0
   60    62    66    72  -0.17500 -1.0 2.0
   60    62    66    72   0.20800  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60   -62    68   0.23400  1.0 3.0
   61    60   -68    62   0.36800  1.0 3.0
   62    63    69    70   0.15000  1.0 3.0
   62    63    69    48   0.47050  1.0 1.0
   62    63    69    48   0.03900 -1.0 2.0
   62    63    69    48   0.20100  1.0 3.0
   62    63    69    74  -0.26800  1.0 1.0
   62    63    69    74   0.69150 -1.0 2.0
   62    63    69    74  -0.48750  1.0 3.0
   62    66    71    54   0.06250  1.0 1.0
   62    66    71    54  -0.01100 -1.0 2.0
   62    66    71    54   0.28050  1.0 3.0
   62    66    72    73  -0.11600  1.0 1.0
   62    66    72    73  -0.09450 -1.0 2.0
   62    66    72    73   0.21250  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    71   0.62750  1.0 1.0
   63    62    66    71  -0.30950 -1.0 2.0
   63    62    66    71   0.27300  1.0 3.0
   63    62    66    72   0.86500  1.0 1.0
   63    62    66    72  -0.17500 -1.0 2.0
   63    62    66    72   0.20800  1.0 3.0
   63    62   -68    60   0.06250  1.0 1.0
   63    62   -68    60  -0.01100 -1.0 2.0
   63    62   -68    60   0.28050  1.0 3.0
   63    69    48    39   0.56750  1.0 1.0
   63    69    48    39  -0.07550 -1.0 2.0
   63    69    48    39   0.20000  1.0 3.0
   63    69    48    44   0.56750  1.0 1.0
   63    69    48    44  -0.07550 -1.0 2.0
   63    69    48    44   0.20000  1.0 3.0
   63    69    48    49   0.15000  1.0 3.0
   63    69    74    75  -0.25900  1.0 1.0
   63    69    74    75  -0.47000 -1.0 2.0
   63    69    74    75   0.11750  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    48   0.15000  1.0 3.0
   64    63    69    74   0.23400  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    48   0.15000  1.0 3.0
   65    63    69    74   0.23400  1.0 3.0
   69    74    75    76   3.00000 -1.0 2.0
   69    74    75    77   2.00000 -1.0 2.0
   70    69    48    39   0.15000  1.0 3.0
   70    69    48    44   0.15000  1.0 3.0
   70    69    48    49   0.15000  1.0 3.0
   70    69    74    75   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    69    74    75  -0.25900  1.0 1.0
   48    69    74    75  -0.47000 -1.0 2.0
   48    69    74    75   0.11750  1.0 3.0
   74    69    48    39   0.62750  1.0 1.0
   74    69    48    39  -0.30950 -1.0 2.0
   74    69    48    39   0.27300  1.0 3.0
   74    69    48    44   0.62750  1.0 1.0
   74    69    48    44  -0.30950 -1.0 2.0
   74    69    48    44   0.27300  1.0 3.0
   74    69    48    49   0.23400  1.0 3.0
   74    75    77    78  -0.56150  1.0 1.0
   74    75    77    78   2.19150 -1.0 2.0
   74    75    77    81  -0.15000  1.0 1.0
   74    75    77    81   0.89550 -1.0 2.0
   74    75    77    81  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    80   7.00000 -1.0 2.0
   75    77    81    82   0.15000  1.0 3.0
   75    77    81    83   0.15000  1.0 3.0
   75    77    81    84   0.09700  1.0 1.0
   75    77    81    84   0.15600 -1.0 2.0
   75    77    81    84  -0.50800  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    81  -0.64400  1.0 1.0
   76    75    77    81   0.26850 -1.0 2.0
   77    81    84    85  -0.07800  1.0 1.0
   77    81    84    85  -0.21500 -1.0 2.0
   77    81    84    85  -0.03150  1.0 3.0
   78    77    81    82   0.00000  1.0 1.0
   78    77    81    83   0.00000  1.0 1.0
   78    77    81    84   0.67800  1.0 1.0
   78    77    81    84   0.47050 -1.0 2.0
   78    77    81    84  -0.62500  1.0 3.0
   81    77    78    79   7.00000 -1.0 2.0
   81    77    78    80   7.00000 -1.0 2.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   66    62    63    64   0.15000  1.0 3.0
   66    62    63    65   0.15000  1.0 3.0
   66    62    63    69   3.97050  1.0 1.0
   66    62   -68    60   0.06250  1.0 1.0
   66    62   -68    60  -0.01100 -1.0 2.0
   66    62   -68    60   0.28050  1.0 3.0
   66    71    54    50  -0.77900  1.0 1.0
   66    71    54    50  -0.36900 -1.0 2.0
   66    71    54    50   0.40400  1.0 3.0
   66    71    54    55   0.37050  1.0 3.0
   66    71    54    56   0.37050  1.0 3.0
   67    66    71    54   0.37050  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   71    66    72    73  -0.50000  1.0 1.0
   71    66    72    73  -0.73950 -1.0 2.0
   71    66    72    73   0.17150  1.0 3.0
   54    50    51    52   0.34800  1.0 3.0
   54    50    51    53   0.34800  1.0 3.0
   54    50    51    57   0.46850  1.0 1.0
   54    50    51    57   0.08550 -1.0 2.0
   54    50    51    57   0.09800  1.0 3.0
   72    66    71    54  -0.70900  1.0 1.0
   72    66    71    54  -1.18000 -1.0 2.0
   72    66    71    54   0.91650  1.0 3.0
   68    60   -62    63   0.02550  1.0 1.0
   68    60   -62    63  -0.02600 -1.0 2.0
   68    60   -62    63   1.20400  1.0 3.0
   68    60   -62    66   0.02550  1.0 1.0
   68    60   -62    66  -0.02600 -1.0 2.0
   68    60   -62    66   1.20400  1.0 3.0
   68    62    63    64   0.23400  1.0 3.0
   68    62    63    65   0.23400  1.0 3.0
   68    62    63    69   0.02550  1.0 1.0
   68    62    63    69  -0.02600 -1.0 2.0
   68    62    63    69   1.20400  1.0 3.0
   68    62    66    67   0.23400  1.0 3.0
   68    62    66    71   1.11900  1.0 1.0
   68    62    66    71  -1.16350 -1.0 2.0
   68    62    66    71  -0.34150  1.0 3.0
   68    62    66    72   3.69350  1.0 1.0
   68    62    66    72  -1.82950 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    54    50    46   1.10000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   75    81    77    78  15.00000 -1.0 2.0
   79    80    78    77  15.00000 -1.0 2.0
END
