* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    150    233     435
    1     0 S   NP   _N1_     1    28.98711    96.04299   -25.17182
    2     1 S   H    _HN1     2     1.02797   120.31867   -95.66404
    3     1 S   H    _H1_     3     1.02947    71.88185     5.46354
    4     1 S   H    _H2_     4     1.02827    35.21179  -173.44761
    5     1 S   CT   _CA1     5     1.50135   123.62189   108.36431
    6     5 S   HC   _HA1     6     1.09574   105.14919    96.38052
    7     5 S   CO3  _C1_     7     1.53764   112.47903   -23.82081
    8     7 S   O2Z  _O11     8     1.26381   114.99846   -42.04937
    9     7 S   O2Z  _O12     9     1.26236   114.94160   136.92732
   10     5 S   CT   _CB1    10     1.53053   107.40287  -145.64082
   11    10 S   HC   HB11    11     1.09845   109.32006   -49.12222
   12    10 S   HC   HB12    12     1.09811   110.47771    67.46669
   13    10 S   CT   _CG1    13     1.53037   112.66233  -170.04157
   14    13 S   HC   HG11    14     1.09564   110.77074   -67.96504
   15    13 S   HC   HG12    15     1.09668   109.67026    51.29685
   16    13 S   C    _CD1    16     1.51815   111.87808   171.80916
   17    16 S   O    _OE1    17     1.22767   123.11939    14.53296
   18    16 S   N    _N2_    18     1.38648   111.91559  -165.49075
   19    18 S   H    _HN2    19     1.01566   119.01290     0.87088
   20    18 S   CT1  _CA2    20     1.46219   123.32702   176.26063
   21    20 S   HC   _HA2    21     1.09743   109.26481     8.11176
   22    20 S   C    _C2_    22     1.53695   108.81783  -107.39731
   23    22 S   O    _O2_    23     1.23084   122.23482  -148.31893
   24    20 S   CT   _CB2    32     1.53362   111.76775   130.11647
   25    24 S   HC   HB21    33     1.09573   110.10476    57.29551
   26    24 S   HC   HB22    34     1.09399   109.64941   176.35632
   27    22 S   N    _N3_    24     1.38310   113.87503    39.11747
   28    27 S   H    _HN3    25     1.01538   119.61874    -3.03228
   29    24 S   S    _SG2    35     1.82572   111.48878   -63.75023
   30    27 S   CT   _CA3    26     1.45282   123.31157   177.30245
   31    30 S   HC   HA31    27     1.09546   107.49338   -65.40258
   32    30 S   HC   HA32    28     1.09555   108.02769    51.07029
   33    29 S   CT   _C8_    36     1.85963   100.22186   174.78658
   34    33 S   HC   _H6_    37     1.10019   104.41762   -40.46254
   35    30 S   CO3  _C3_    29     1.52986   114.01513   173.07731
   36    35 S   O2Z  _O31    30     1.26390   116.07075    -0.70388
   37    35 S   O2Z  _O32    31     1.26422   114.42309   179.36296
   38    33 S   CM   _C9_    38     1.53184   109.80677    76.46511
   39    33 S   CT   _C7_    52     1.55964   116.93952  -157.17804
   40    39 S   OM   _O36    53     1.32582   110.61333    51.45454
   41    39 S   HC   _H5_    54     1.10383   104.09180   176.83764
   42    38 S   CM   _C10    39     1.34726   117.84885   -99.59704
   43    42 S   HC   _H10    40     1.08604   121.24116     0.67289
   44    42 S   CO4  _C11    41     1.47736   123.66828   178.29108
   45    44 S   O    _O33    42     1.22469   120.68897  -178.50054
   46    44 S   C3T  _C12    43     1.48633   115.82358     1.09754
   47    46 S   CT   _C13    44     1.50988   116.41238    26.14386
   48    47 S   HC   _H11    45     1.09387   111.39504  -172.81832
   49    47 S   HC   _H12    46     1.09847   106.55966    71.96044
   50    46 S   C3T  _C16    70     1.54962   121.06820  -173.59210
   51    38 S   CT   _C14    47     1.54407   118.96864    82.84342
   52    46 S   O3T  _O34    71     1.43616   113.08583  -109.01855
   53    50 S   CO4  _C18    72     1.48605   119.55219    -1.00269
   54    53 S   O    _O35    73     1.22487   121.16521  -102.55408
   55    53 S   HC   _H19    74     1.10288   116.87388    78.33881
   56    50 S   CT   _C17    75     1.50525   120.45839  -161.83216
   57    56 S   HC   _H16    76     1.09464   112.48443   -52.95052
   58    56 S   HC   _H17    77     1.09545   110.53229  -172.27656
   59    56 S   HC   _H18    78     1.09447   110.11928    68.54166
   60    51 S   CT   _C5_    48     1.58134   111.10061    41.41770
   61    60 S   HC   _H3_    49     1.10094   106.68695    72.18813
   62    51 S   CT   _C15    66     1.54808   109.32918   -83.22246
   63    62 S   HC   _H13    67     1.09596   111.52731  -165.28965
   64    62 S   HC   _H14    68     1.09108   113.01155    74.66628
   65    62 S   HC   _H15    69     1.09617   111.58977   -45.84496
   66    60 S   CT   _C6_    50     1.55299   114.94689   -43.70868
   67    66 S   HC   _H4_    51     1.10008   107.56291   170.78062
   68    60 S   CT   _C4_    62     1.53849   113.67107  -171.67006
   69    68 S   HC   _H7_    63     1.09391   112.26032    63.23941
   70    68 S   HC   _H8_    64     1.09350   111.61534   -58.34636
   71    68 S   HC   _H9_    65     1.09583   110.31576  -176.92082
   72    66 S   OS   _O37    55     1.44381   109.64198   -69.70121
   73    72 S   CO4  _C19    56     1.36069   118.87814  -113.82233
   74    73 S   O    _O38    57     1.22313   126.96329     2.78818
   75    73 S   CT   _C20    58     1.49880   109.15652  -177.78840
   76    75 S   HC   _H20    59     1.09295   109.79954   -61.44985
   77    75 S   HC   _H21    60     1.09375   109.38276   179.44012
   78    75 S   HC   _H22    61     1.09299   109.83688    60.42670
  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   9   5   4   3
  15   7   2   1   1  20  11   5   4  10   4  10   4  15  15   6
   5   9  14   7   6   2   1   3   2   1   1  13   8   5   2   1
   1   9   3   4   2   1   1   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    51    66    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    47    51    60    66    67    39    40    41    72    62  
   38    42    51    66    39    40    41  
   36    37  
   37  
    0  
   42    43    44    45    46    47    48    49    51    60    61    66    39    40    41    68    62    63    64    65  
   40    41    72    73    68    42    51    60    61    66    67  
   41    72    60    66    67  
   72    60    66    67  
   43    44    45    46    47    51    60    62    50    52  
   44    45    46    51  
   45    46    47    48    49    51    50    52    53    56  
   46    47    50    52  
   47    48    49    51    60    62    50    52    53    54    55    56    57    58    59  
   48    49    51    60    61    66    68    62    63    64    65    50    52    53    56  
   49    51    60    62    50    52  
   51    60    62    50    52  
   52    53    54    55    56    57    58    59    51  
   60    61    66    67    72    68    69    70    71    62    63    64    65    52  
   53    54    55    56    57    58    59  
   54    55    56    57    58    59  
   55    56  
   56  
   57    58    59  
   58    59  
   59  
    0  
   61    66    67    72    73    68    69    70    71    62    63    64    65  
   66    67    72    68    69    70    71    62  
   63    64    65    66    68  
   64    65  
   65  
    0  
   67    72    73    74    75    68    69    70    71  
   72    73    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   53   3.7500   0.1050   0.367200   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   549.000  1.340
   38    51   317.000  1.510
   42    43   340.000  1.080
   42    44   320.000  1.462
   44    45   570.000  1.229
   44    46   290.000  1.496
   46    47   275.000  1.510
   46    50   260.000  1.509
   46    52   335.000  1.432
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    60   268.000  1.529
   51    62   268.000  1.529
   60    61   340.000  1.090
   60    66   268.000  1.529
   60    68   268.000  1.529
   66    67   340.000  1.090
   66    39   268.000  1.529
   66    72   320.000  1.410
   39    40   570.000  1.307
   39    41   340.000  1.090
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   50    52   335.000  1.432
   50    53   290.000  1.496
   50    56   275.000  1.510
   53    54   570.000  1.229
   53    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    51    65.00000  117.92700
   33    39    66    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    65.00000  118.96000
   38    51    47    70.00000  112.02700
   38    51    60    70.00000  112.02700
   38    51    62    70.00000  112.02700
   42    44    45    80.00000  123.72100
   42    44    46    65.00000  118.62400
   44    42    43    40.00000  117.72500
   44    46    47    63.00000  111.10000
   44    46    50    65.00000  117.18000
   44    46    52    80.00000  114.91000
   46    44    45    75.00000  121.36600
   46    47    48    45.00000  109.38400
   46    47    49    45.00000  109.38400
   46    47    51    70.00000  112.37300
   46    50    52    15.00000   60.43100
   46    50    53    65.00000  117.18000
   46    50    56    60.00000  120.94000
   46    52    50    15.00000   59.14900
   47    51    60    58.35000  112.70000
   47    51    62    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    38    42    70.00000  124.00000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    60    61    37.50000  110.70000
   51    60    66    58.35000  112.70000
   51    60    68    58.35000  112.70000
   51    62    63    37.50000  110.70000
   51    62    64    37.50000  110.70000
   51    62    65    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    39    58.35000  112.70000
   60    66    72    50.00000  109.50000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    71    37.50000  110.70000
   66    60    61    37.50000  110.70000
   66    39    40    50.00000  109.50000
   66    39    41    37.50000  110.70000
   66    72    73    83.00000  116.90000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    66    67    37.50000  110.70000
   41    39    40    45.00000  125.66300
   72    66    67    35.00000  109.50000
   72    66    39    50.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   68    60    61    37.50000  110.70000
   68    60    66    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   62    51    60    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   50    46    47    60.00000  120.94000
   50    53    54    75.00000  121.36600
   50    53    55    40.00000  115.82000
   50    56    57    45.00000  109.38400
   50    56    58    45.00000  109.38400
   50    56    59    45.00000  109.38400
   52    46    47    80.00000  116.47100
   52    46    50    15.00000   60.43100
   53    50    52    80.00000  114.91000
   55    53    54    35.00000  123.00000
   56    50    52    80.00000  116.47100
   56    50    53    63.00000  111.10000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  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    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    51   0.30250  1.0 1.0
   29    33    38    51  -0.14950 -1.0 2.0
   29    33    38    51   0.36900  1.0 3.0
   29    33    39    66   0.44750  1.0 1.0
   29    33    39    66  -0.17800 -1.0 2.0
   29    33    39    66   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   33    38    51    47   0.46850  1.0 1.0
   33    38    51    47   0.08550 -1.0 2.0
   33    38    51    47   0.09800  1.0 3.0
   33    38    51    60   0.46850  1.0 1.0
   33    38    51    60   0.08550 -1.0 2.0
   33    38    51    60   0.09800  1.0 3.0
   33    38    51    62   0.46850  1.0 1.0
   33    38    51    62   0.08550 -1.0 2.0
   33    38    51    62   0.09800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    51   0.34800  1.0 3.0
   34    33    39    66   0.15000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    66   0.34400  1.0 1.0
   38    33    39    66   0.09450 -1.0 2.0
   38    33    39    66   0.11100  1.0 3.0
   38    33    39    40   0.61850  1.0 1.0
   38    33    39    40  -0.22750 -1.0 2.0
   38    33    39    40   0.15300  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    44    45   1.00000 -1.0 2.0
   38    42    44    46  -0.33500  1.0 1.0
   38    42    44    46   1.06600 -1.0 2.0
   38    42    44    46  -0.14000  1.0 3.0
   38    51    60    61   0.15000  1.0 3.0
   38    51   -60    66   0.34400  1.0 1.0
   38    51   -60    66   0.09450 -1.0 2.0
   38    51   -60    66   0.11100  1.0 3.0
   38    51    60    68   0.34400  1.0 1.0
   38    51    60    68   0.09450 -1.0 2.0
   38    51    60    68   0.11100  1.0 3.0
   38    51    62    63   0.15000  1.0 3.0
   38    51    62    64   0.15000  1.0 3.0
   38    51    62    65   0.15000  1.0 3.0
   42    38    51    47   0.09850  1.0 1.0
   42    38    51    47   0.15250 -1.0 2.0
   42    38    51    47  -0.50650  1.0 3.0
   42    38    51    60   0.09850  1.0 1.0
   42    38    51    60   0.15250 -1.0 2.0
   42    38    51    60  -0.50650  1.0 3.0
   42    38    51    62   0.09850  1.0 1.0
   42    38    51    62   0.15250 -1.0 2.0
   42    38    51    62  -0.50650  1.0 3.0
   42    44   -46    47   0.65300  1.0 1.0
   42    44   -46    47  -0.03850 -1.0 2.0
   42    44   -46    47   0.33900  1.0 3.0
   42    44    46    50   0.65300  1.0 1.0
   42    44    46    50  -0.03850 -1.0 2.0
   42    44    46    50   0.33900  1.0 3.0
   42    44    46    52   0.65300  1.0 1.0
   42    44    46    52  -0.03850 -1.0 2.0
   42    44    46    52   0.33900  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.04550  1.0 1.0
   43    42    44    46   0.83000 -1.0 2.0
   43    42    44    46  -0.04000  1.0 3.0
   44    46    47    48  -0.11250  1.0 3.0
   44    46    47    49  -0.11250  1.0 3.0
   44    46    47    51  -0.95700  1.0 1.0
   44    46    47    51  -0.18200 -1.0 2.0
   44    46    47    51   0.29450  1.0 3.0
   44    46   -50    52  -0.09450  1.0 1.0
   44    46   -50    52  -1.12950 -1.0 2.0
   44    46   -50    52   0.54000  1.0 3.0
   44    46    50    53   0.11950  1.0 1.0
   44    46    50    53   0.20300 -1.0 2.0
   44    46    50    53  -0.70800  1.0 3.0
   44    46    50    56  -0.95700  1.0 1.0
   44    46    50    56  -0.18200 -1.0 2.0
   44    46    50    56   0.29450  1.0 3.0
   44    46   -52    50  -1.11000  1.0 1.0
   44    46   -52    50   0.50250 -1.0 2.0
   44    46   -52    50   0.47450  1.0 3.0
   45    44    46    47   0.30150 -1.0 2.0
   45    44    46    50   0.30150 -1.0 2.0
   45    44    46    52   0.30150 -1.0 2.0
   46    47   -51    38   0.34400  1.0 1.0
   46    47   -51    38   0.09450 -1.0 2.0
   46    47   -51    38   0.11100  1.0 3.0
   46    47    51    60   0.47050  1.0 1.0
   46    47    51    60   0.03900 -1.0 2.0
   46    47    51    60   0.20100  1.0 3.0
   46    47    51    62   0.47050  1.0 1.0
   46    47    51    62   0.03900 -1.0 2.0
   46    47    51    62   0.20100  1.0 3.0
   46    50    53    54   0.30150 -1.0 2.0
   46    50    53    55   0.74550  1.0 1.0
   46    50    53    55  -0.00500 -1.0 2.0
   46    50    56    57   0.15000  1.0 3.0
   46    50    56    58   0.15000  1.0 3.0
   46    50    56    59   0.15000  1.0 3.0
   47    46   -50    52   0.02550  1.0 1.0
   47    46   -50    52  -0.02600 -1.0 2.0
   47    46   -50    52   1.20400  1.0 3.0
   47    46    50    53  -0.95700  1.0 1.0
   47    46    50    53  -0.18200 -1.0 2.0
   47    46    50    53   0.29450  1.0 3.0
   47    46    50    56   0.56750  1.0 1.0
   47    46    50    56  -0.07550 -1.0 2.0
   47    46    50    56   0.20000  1.0 3.0
   47    46   -52    50   0.06250  1.0 1.0
   47    46   -52    50  -0.01100 -1.0 2.0
   47    46   -52    50   0.28050  1.0 3.0
   47    51    60    61   0.15000  1.0 3.0
   47    51    60    66   0.56750  1.0 1.0
   47    51    60    66  -0.07550 -1.0 2.0
   47    51    60    66   0.20000  1.0 3.0
   47    51    60    68   0.56750  1.0 1.0
   47    51    60    68  -0.07550 -1.0 2.0
   47    51    60    68   0.20000  1.0 3.0
   47    51    62    63   0.15000  1.0 3.0
   47    51    62    64   0.15000  1.0 3.0
   47    51    62    65   0.15000  1.0 3.0
   48    47    51    38   0.15000  1.0 3.0
   48    47    51    60   0.15000  1.0 3.0
   48    47    51    62   0.15000  1.0 3.0
   49    47    51    38   0.15000  1.0 3.0
   49    47    51    60   0.15000  1.0 3.0
   49    47    51    62   0.15000  1.0 3.0
   51    38    42    43   7.00000 -1.0 2.0
   51    38   -42    44   7.00000 -1.0 2.0
   51    60    66    67   0.15000  1.0 3.0
   51    60    66    39   0.56750  1.0 1.0
   51    60    66    39  -0.07550 -1.0 2.0
   51    60    66    39   0.20000  1.0 3.0
   51    60    66    72   0.62750  1.0 1.0
   51    60    66    72  -0.30950 -1.0 2.0
   51    60    66    72   0.27300  1.0 3.0
   51    60    68    69   0.15000  1.0 3.0
   51    60    68    70   0.15000  1.0 3.0
   51    60    68    71   0.15000  1.0 3.0
   60    51    62    63   0.15000  1.0 3.0
   60    51    62    64   0.15000  1.0 3.0
   60    51    62    65   0.15000  1.0 3.0
   60    66   -39    33   0.56750  1.0 1.0
   60    66   -39    33  -0.07550 -1.0 2.0
   60    66   -39    33   0.20000  1.0 3.0
   60    66    39    40   0.62750  1.0 1.0
   60    66    39    40  -0.30950 -1.0 2.0
   60    66    39    40   0.27300  1.0 3.0
   60    66    39    41   0.15000  1.0 3.0
   60    66    72    73  -0.25900  1.0 1.0
   60    66    72    73  -0.47000 -1.0 2.0
   60    66    72    73   0.11750  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    39   0.15000  1.0 3.0
   61    60    66    72   0.23400  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    70   0.15000  1.0 3.0
   61    60    68    71   0.15000  1.0 3.0
   66    60    68    69   0.15000  1.0 3.0
   66    60    68    70   0.15000  1.0 3.0
   66    60    68    71   0.15000  1.0 3.0
   66    72    73    74   3.00000 -1.0 2.0
   66    72    73    75   1.63150  1.0 1.0
   66    72    73    75   2.92000 -1.0 2.0
   67    66    39    33   0.15000  1.0 3.0
   67    66    39    40   0.23400  1.0 3.0
   67    66    39    41   0.15000  1.0 3.0
   67    66    72    73   0.08050  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33   -38    51   0.46850  1.0 1.0
   39    33   -38    51   0.08550 -1.0 2.0
   39    33   -38    51   0.09800  1.0 3.0
   39    66    72    73  -0.25900  1.0 1.0
   39    66    72    73  -0.47000 -1.0 2.0
   39    66    72    73   0.11750  1.0 3.0
   72    66    39    33   0.62750  1.0 1.0
   72    66    39    33  -0.30950 -1.0 2.0
   72    66    39    33   0.27300  1.0 3.0
   72    66    39    40   1.11900  1.0 1.0
   72    66    39    40  -1.16350 -1.0 2.0
   72    66    39    40  -0.34150  1.0 3.0
   72    66    39    41   0.23400  1.0 3.0
   72    73    75    76   0.00000  1.0 1.0
   72    73    75    77   0.00000  1.0 1.0
   72    73    75    78   0.00000  1.0 1.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   68    60    66    67   0.15000  1.0 3.0
   68    60    66    39   0.56750  1.0 1.0
   68    60    66    39  -0.07550 -1.0 2.0
   68    60    66    39   0.20000  1.0 3.0
   68    60    66    72   0.62750  1.0 1.0
   68    60    66    72  -0.30950 -1.0 2.0
   68    60    66    72   0.27300  1.0 3.0
   62    51    60    61   0.15000  1.0 3.0
   62    51    60    66   0.56750  1.0 1.0
   62    51    60    66  -0.07550 -1.0 2.0
   62    51    60    66   0.20000  1.0 3.0
   62    51    60    68   0.56750  1.0 1.0
   62    51    60    68  -0.07550 -1.0 2.0
   62    51    60    68   0.20000  1.0 3.0
   50    46    47    48   0.15000  1.0 3.0
   50    46    47    49   0.15000  1.0 3.0
   50    46    47    51   0.07850  1.0 1.0
   50    46    47    51  -0.03950 -1.0 2.0
   50    46    47    51   0.67350  1.0 3.0
   52    46    47    48   0.23400  1.0 3.0
   52    46    47    49   0.23400  1.0 3.0
   52    46    47    51   0.02550  1.0 1.0
   52    46    47    51  -0.02600 -1.0 2.0
   52    46    47    51   1.20400  1.0 3.0
   52    46   -50    53  -0.09450  1.0 1.0
   52    46   -50    53  -1.12950 -1.0 2.0
   52    46   -50    53   0.54000  1.0 3.0
   52    46   -50    56   0.02550  1.0 1.0
   52    46   -50    56  -0.02600 -1.0 2.0
   52    46   -50    56   1.20400  1.0 3.0
   52    50    53    54   0.30150 -1.0 2.0
   52    50    53    55   0.00000  1.0 1.0
   52    50    56    57   0.23400  1.0 3.0
   52    50    56    58   0.23400  1.0 3.0
   52    50    56    59   0.23400  1.0 3.0
   53    50   -52    46  -1.11000  1.0 1.0
   53    50   -52    46   0.50250 -1.0 2.0
   53    50   -52    46   0.47450  1.0 3.0
   53    50    56    57  -0.11250  1.0 3.0
   53    50    56    58  -0.11250  1.0 3.0
   53    50    56    59  -0.11250  1.0 3.0
   56    50   -52    46   0.06250  1.0 1.0
   56    50   -52    46  -0.01100 -1.0 2.0
   56    50   -52    46   0.28050  1.0 3.0
   56    50    53    54   0.30150 -1.0 2.0
   56    50    53    55   0.74550  1.0 1.0
   56    50    53    55  -0.00500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    51    38    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   42    46    44    45  10.50000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
   50    55    53    54  10.50000 -1.0 2.0
END
