* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    150    233     435
    1     0 S   NP   _N1_     1    28.18378    97.28845   -21.95019
    2     1 S   H    _HN1     2     1.02953    73.15298   -16.51345
    3     1 S   H    _H1_     3     1.02832    38.90298   133.30054
    4     1 S   H    _H2_     4     1.02775   101.51085  -122.40721
    5     1 S   CT   _CA1     5     1.50159   141.93828    85.24227
    6     5 S   HC   _HA1     6     1.09573   105.18828    89.28125
    7     5 S   CO3  _C1_     7     1.53786   112.19171   -30.88706
    8     7 S   O2Z  _O11     8     1.26380   114.97910   -46.03216
    9     7 S   O2Z  _O12     9     1.26212   114.93734   132.73309
   10     5 S   CT   _CB1    10     1.53066   107.37817  -152.82489
   11    10 S   HC   HB11    11     1.09834   109.38921   -49.49455
   12    10 S   HC   HB12    12     1.09811   110.44819    67.08229
   13    10 S   CT   _CG1    13     1.53016   112.65095  -170.46071
   14    13 S   HC   HG11    14     1.09586   110.59169   -64.71051
   15    13 S   HC   HG12    15     1.09659   109.85983    54.49182
   16    13 S   C    _CD1    16     1.51859   112.10901   174.94491
   17    16 S   O    _OE1    17     1.22775   123.27908     5.75279
   18    16 S   N    _N2_    18     1.38438   111.81119  -174.54943
   19    18 S   H    _HN2    19     1.01781   119.08840     3.59652
   20    18 S   CT1  _CA2    20     1.45813   122.98938   178.53687
   21    20 S   HC   _HA2    21     1.09737   108.88969    26.89046
   22    20 S   C    _C2_    22     1.52990   107.32716   -90.12601
   23    22 S   O    _O2_    23     1.22954   123.22619   -24.60016
   24    20 S   CT   _CB2    32     1.53247   111.80546   150.09331
   25    24 S   HC   HB21    33     1.09005   109.29351    55.14306
   26    24 S   HC   HB22    34     1.09469   110.30009   172.61013
   27    22 S   N    _N3_    24     1.38541   112.43379   158.00866
   28    27 S   H    _HN3    25     1.01650   120.31269    -2.26909
   29    24 S   S    _SG2    35     1.82607   110.79109   -68.61327
   30    27 S   CT   _CA3    26     1.45348   122.54093   178.50878
   31    30 S   HC   HA31    27     1.09565   107.88639   -54.32624
   32    30 S   HC   HA32    28     1.09559   107.55481    62.03480
   33    29 S   CT   _C12    36     1.89475   103.75061   143.65040
   34    30 S   CO3  _C3_    29     1.52898   114.27275  -176.24105
   35    34 S   O2Z  _O31    30     1.26344   116.04523     0.93125
   36    34 S   O2Z  _O32    31     1.26434   114.42294  -179.12107
   37    33 S   CO4  _C11    37     1.55347   102.45896   165.02876
   38    37 S   O    _O34    38     1.23359   123.12478    60.03000
   39    33 S   CT   _C13    51     1.56504   111.70673    47.85685
   40    39 S   HC   _H11    52     1.09286   109.75124   -47.39898
   41    39 S   HC   _H12    53     1.09919   107.44798  -160.25143
   42    33 S   CT   _C16    70     1.60152   110.61662   -78.25789
   43    42 S   OM   _O36    71     1.32661   110.55218  -169.07229
   44    37 S   CM   _C10    39     1.48040   120.19328  -119.38167
   45    44 S   HC   _H10    40     1.08636   115.27568  -164.96175
   46    42 S   CO4  _C18    72     1.53627   112.19158    78.09555
   47    46 S   O    _O35    73     1.23061   124.39105  -112.31282
   48    46 S   HC   _H19    74     1.10655   116.63342    64.80125
   49    42 S   CT   _C17    75     1.54697   116.10043   -47.24345
   50    49 S   HC   _H16    76     1.09528   113.15784   -61.84338
   51    49 S   HC   _H17    77     1.10020   111.66278   178.44631
   52    49 S   HC   _H18    78     1.09461   112.11337    60.33539
   53    44 S   CM   _C9_    41     1.34345   123.99205    18.69353
   54    53 S   C3T  _C8_    42     1.47966   120.27584   176.74538
   55    54 S   HC   _H6_    43     1.08730   113.76782    24.55963
   56    54 S   C3T  _C7_    44     1.50303   121.02835   168.34749
   57    56 S   HC   _H5_    45     1.08161   119.19685  -143.34776
   58    56 S   CT   _C6_    46     1.49333   121.33657     7.91778
   59    58 S   HC   _H4_    47     1.09892   108.36507  -142.38194
   60    54 S   O3T  _O33    69     1.43541   121.84116  -121.91314
   61    58 S   CT   _C5_    48     1.54853   111.47185   -25.06154
   62    61 S   HC   _H3_    49     1.10155   105.28364   -68.01939
   63    58 S   OS   _O37    62     1.44232   111.16767    99.16851
   64    53 S   CT   _C14    50     1.53084   121.31381    -1.37842
   65    61 S   CT   _C4_    58     1.53919   109.19257   178.14523
   66    65 S   HC   _H7_    59     1.09373   112.22555   -70.77746
   67    65 S   HC   _H8_    60     1.09333   111.74984   167.34535
   68    65 S   HC   _H9_    61     1.09606   110.36948    49.06830
   69    63 S   CO4  _C19    63     1.36256   117.20531    76.75776
   70    69 S   O    _O38    64     1.22315   126.41430     0.35498
   71    64 S   CT   _C15    54     1.54260   108.25987    90.77666
   72    71 S   HC   _H13    55     1.09397   111.65303  -172.49938
   73    71 S   HC   _H14    56     1.09262   112.57398    66.42786
   74    71 S   HC   _H15    57     1.09388   112.06256   -51.52848
   75    69 S   CT   _C20    65     1.49824   109.44034  -179.58222
   76    75 S   HC   _H20    66     1.09291   109.82399   -60.88634
   77    75 S   HC   _H21    67     1.09375   109.37120  -179.94405
   78    75 S   HC   _H22    68     1.09293   109.80502    60.99337
  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  12   5   4   3
  20   2   1   1  13   5  18   6   5  10   7   9   3   6   2   1
   3   2   1   1  14  10   5  10   5  14   7   3  12   7   8   8
   4   2   1   1   5   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    64    39    40    41    42    43    46    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    53    61    64    39    40    41    71    42    43    46    47    48    49    50    51    52  
   35    36  
   36  
    0  
   38    44    45    53    54    64    39    40    41    42    43    46    49  
   44    45    53    39    42  
   40    41    71    72    73    74    65    42    43    46    49    44    53    54    58    61    62    64  
   41    71    42    53    61    64  
   71    42    53    61    64  
   43    46    47    48    49    50    51    52    44    64  
   46    47    48    49    50    51    52  
   45    53    54    55    56    61    64    71    60  
   53    54    64  
   47    48    49    50    51    52  
   48    49  
   49  
   50    51    52  
   51    52  
   52  
    0  
   54    55    56    57    58    61    62    64    71    72    73    74    65    60  
   55    56    57    58    59    61    64    71    63    60  
   56    57    58    64    60  
   57    58    59    61    62    64    65    63    69    60  
   58    59    61    63    60  
   59    61    62    64    71    65    66    67    68    63    69    70    75    60  
   61    62    64    65    63    69    60  
   61    63    64  
   62    64    71    72    73    74    65    66    67    68    63    69  
   64    71    65    66    67    68    63  
   69    70    75    76    77    78    64    65  
   71    72    73    74    65    66    67    68  
   66    67    68    71  
   67    68  
   68  
    0  
   70    75    76    77    78  
   75    76    77    78  
   72    73    74  
   73    74  
   74  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.229
   37    44   320.000  1.462
   44    45   340.000  1.080
   44    53   549.000  1.340
   53    54   305.000  1.480
   53    64   317.000  1.510
   54    55   340.000  1.088
   54    56   260.000  1.509
   54    60   335.000  1.432
   56    57   340.000  1.088
   56    58   275.000  1.510
   56    60   335.000  1.432
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    63   320.000  1.410
   61    62   340.000  1.090
   61    64   268.000  1.529
   61    65   268.000  1.529
   64    39   268.000  1.529
   64    71   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   63    69   214.000  1.327
   69    70   570.000  1.229
   69    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   42    43   570.000  1.307
   42    46   317.000  1.522
   42    49   268.000  1.529
   46    47   570.000  1.229
   46    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  118.62400
   33    39    64    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    50.00000  109.50000
   33    42    46    63.00000  111.10000
   33    42    49    58.35000  112.70000
   37    44    45    40.00000  117.72500
   37    44    53    65.00000  118.96000
   44    37    38    80.00000  123.72100
   44    53    54    55.00000  125.06700
   44    53    64    70.00000  124.00000
   53    44    45    35.00000  120.00000
   53    54    55    40.00000  112.45000
   53    54    56    60.00000  120.58800
   53    54    60    85.00000  114.23300
   53    64    61    70.00000  112.02700
   53    64    39    70.00000  112.02700
   53    64    71    70.00000  112.02700
   54    56    57    37.50000  117.20000
   54    56    58    60.00000  120.94000
   54    56    60    15.00000   60.43100
   54    60    56    15.00000   59.14900
   56    54    55    37.50000  117.20000
   56    58    59    45.00000  109.38400
   56    58    61    70.00000  112.37300
   56    58    63    50.00000  109.50000
   58    56    57    40.00000  115.04500
   58    61    62    37.50000  110.70000
   58    61    64    58.35000  112.70000
   58    61    65    58.35000  112.70000
   58    63    69    83.00000  116.90000
   61    58    59    37.50000  110.70000
   61    64    39    58.35000  112.70000
   61    64    71    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   64    53    54    65.00000  117.92700
   64    61    62    37.50000  110.70000
   64    39    40    37.50000  110.70000
   64    39    41    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    74    37.50000  110.70000
   39    33    37    63.00000  111.10000
   41    39    40    33.00000  107.80000
   71    64    39    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   65    61    62    37.50000  110.70000
   65    61    64    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    61    50.00000  109.50000
   63    69    70    83.00000  123.40000
   63    69    75    81.00000  111.40000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   75    69    70    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
   60    54    55    50.00000  114.27700
   60    54    56    15.00000   60.43100
   60    56    57    50.00000  114.27700
   60    56    58    80.00000  116.47100
   42    33    37    63.00000  111.10000
   42    33    39    58.35000  112.70000
   42    46    47    80.00000  120.40000
   42    46    48    35.00000  115.00000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    52    37.50000  110.70000
   46    42    43    90.00000  108.74100
   48    46    47    35.00000  123.00000
   49    42    43    50.00000  109.50000
   49    42    46    63.00000  111.10000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    64   0.44750  1.0 1.0
   29    33    39    64  -0.17800 -1.0 2.0
   29    33    39    64   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.56750  1.0 1.0
   29    33    42    43  -0.07550 -1.0 2.0
   29    33    42    43   0.20000  1.0 3.0
   29    33    42    46   0.56750  1.0 1.0
   29    33    42    46  -0.07550 -1.0 2.0
   29    33    42    46   0.20000  1.0 3.0
   29    33    42    49   0.44750  1.0 1.0
   29    33    42    49  -0.17800 -1.0 2.0
   29    33    42    49   0.20200  1.0 3.0
   33    37    44    45   0.04550  1.0 1.0
   33    37    44    45   0.83000 -1.0 2.0
   33    37    44    45  -0.04000  1.0 3.0
   33    37    44    53  -0.33500  1.0 1.0
   33    37    44    53   1.06600 -1.0 2.0
   33    37    44    53  -0.14000  1.0 3.0
   33    42    46    47   0.30150 -1.0 2.0
   33    42    46    48   0.74550  1.0 1.0
   33    42    46    48  -0.00500 -1.0 2.0
   33    42    49    50   0.15000  1.0 3.0
   33    42    49    51   0.15000  1.0 3.0
   33    42    49    52   0.15000  1.0 3.0
   37    33    39    64  -0.95700  1.0 1.0
   37    33    39    64  -0.18200 -1.0 2.0
   37    33    39    64   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43  -0.09450  1.0 1.0
   37    33    42    43  -1.12950 -1.0 2.0
   37    33    42    43   0.54000  1.0 3.0
   37    33    42    46   0.11950  1.0 1.0
   37    33    42    46   0.20300 -1.0 2.0
   37    33    42    46  -0.70800  1.0 3.0
   37    33    42    49  -0.95700  1.0 1.0
   37    33    42    49  -0.18200 -1.0 2.0
   37    33    42    49   0.29450  1.0 3.0
   37    44    53    54   7.00000 -1.0 2.0
   37    44   -53    64   7.00000 -1.0 2.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    53   1.00000 -1.0 2.0
   44    53    54    55   0.00000  1.0 1.0
   44    53    54    56   0.09850  1.0 1.0
   44    53    54    56   0.15250 -1.0 2.0
   44    53    54    56  -0.50650  1.0 3.0
   44    53    54    60   0.39000  1.0 1.0
   44    53    54    60  -0.05800 -1.0 2.0
   44    53    54    60  -0.55150  1.0 3.0
   44    53    64    61   0.09850  1.0 1.0
   44    53    64    61   0.15250 -1.0 2.0
   44    53    64    61  -0.50650  1.0 3.0
   44    53    64    39   0.09850  1.0 1.0
   44    53    64    39   0.15250 -1.0 2.0
   44    53    64    39  -0.50650  1.0 3.0
   44    53    64    71   0.09850  1.0 1.0
   44    53    64    71   0.15250 -1.0 2.0
   44    53    64    71  -0.50650  1.0 3.0
   45    44    53    54   7.00000 -1.0 2.0
   45    44    53    64   7.00000 -1.0 2.0
   53    54    56    57   0.15000  1.0 3.0
   53    54    56    58   0.34400  1.0 1.0
   53    54    56    58   0.09450 -1.0 2.0
   53    54    56    58   0.11100  1.0 3.0
   53    54   -56    60   0.61850  1.0 1.0
   53    54   -56    60  -0.22750 -1.0 2.0
   53    54   -56    60   0.15300  1.0 3.0
   53    54   -60    56  -0.77900  1.0 1.0
   53    54   -60    56  -0.36900 -1.0 2.0
   53    54   -60    56   0.40400  1.0 3.0
   53    64   -39    33   0.34400  1.0 1.0
   53    64   -39    33   0.09450 -1.0 2.0
   53    64   -39    33   0.11100  1.0 3.0
   53    64    39    40   0.15000  1.0 3.0
   53    64    39    41   0.15000  1.0 3.0
   53    64    71    72   0.15000  1.0 3.0
   53    64    71    73   0.15000  1.0 3.0
   53    64    71    74   0.15000  1.0 3.0
   54    53    64    61   0.46850  1.0 1.0
   54    53    64    61   0.08550 -1.0 2.0
   54    53    64    61   0.09800  1.0 3.0
   54    53    64    39   0.46850  1.0 1.0
   54    53    64    39   0.08550 -1.0 2.0
   54    53    64    39   0.09800  1.0 3.0
   54    53    64    71   0.46850  1.0 1.0
   54    53    64    71   0.08550 -1.0 2.0
   54    53    64    71   0.09800  1.0 3.0
   54    56    58    59   0.15000  1.0 3.0
   54    56   -58    61   0.07850  1.0 1.0
   54    56   -58    61  -0.03950 -1.0 2.0
   54    56   -58    61   0.67350  1.0 3.0
   54    56    58    63  -0.26800  1.0 1.0
   54    56    58    63   0.69150 -1.0 2.0
   54    56    58    63  -0.48750  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54   -56    60   0.23400  1.0 3.0
   55    54   -60    56   0.36800  1.0 3.0
   56    58    61    62   0.15000  1.0 3.0
   56    58    61    64   0.47050  1.0 1.0
   56    58    61    64   0.03900 -1.0 2.0
   56    58    61    64   0.20100  1.0 3.0
   56    58    61    65   0.47050  1.0 1.0
   56    58    61    65   0.03900 -1.0 2.0
   56    58    61    65   0.20100  1.0 3.0
   56    58    63    69  -0.25900  1.0 1.0
   56    58    63    69  -0.47000 -1.0 2.0
   56    58    63    69   0.11750  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   57    56    58    63   0.23400  1.0 3.0
   57    56   -60    54   0.36800  1.0 3.0
   58    56   -60    54   0.06250  1.0 1.0
   58    56   -60    54  -0.01100 -1.0 2.0
   58    56   -60    54   0.28050  1.0 3.0
   58    61   -64    53   0.34400  1.0 1.0
   58    61   -64    53   0.09450 -1.0 2.0
   58    61   -64    53   0.11100  1.0 3.0
   58    61    64    39   0.56750  1.0 1.0
   58    61    64    39  -0.07550 -1.0 2.0
   58    61    64    39   0.20000  1.0 3.0
   58    61    64    71   0.56750  1.0 1.0
   58    61    64    71  -0.07550 -1.0 2.0
   58    61    64    71   0.20000  1.0 3.0
   58    61    65    66   0.15000  1.0 3.0
   58    61    65    67   0.15000  1.0 3.0
   58    61    65    68   0.15000  1.0 3.0
   58    63    69    70   3.00000 -1.0 2.0
   58    63    69    75   1.63150  1.0 1.0
   58    63    69    75   2.92000 -1.0 2.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   59    58    61    65   0.15000  1.0 3.0
   59    58    63    69   0.08050  1.0 3.0
   61    58    63    69  -0.25900  1.0 1.0
   61    58    63    69  -0.47000 -1.0 2.0
   61    58    63    69   0.11750  1.0 3.0
   61    64    39    33   0.56750  1.0 1.0
   61    64    39    33  -0.07550 -1.0 2.0
   61    64    39    33   0.20000  1.0 3.0
   61    64    39    40   0.15000  1.0 3.0
   61    64    39    41   0.15000  1.0 3.0
   61    64    71    72   0.15000  1.0 3.0
   61    64    71    73   0.15000  1.0 3.0
   61    64    71    74   0.15000  1.0 3.0
   62    61    64    53   0.15000  1.0 3.0
   62    61    64    39   0.15000  1.0 3.0
   62    61    64    71   0.15000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   64    53    54    55   0.34800  1.0 3.0
   64    53   -54    56   0.46850  1.0 1.0
   64    53   -54    56   0.08550 -1.0 2.0
   64    53   -54    56   0.09800  1.0 3.0
   64    53    54    60   0.09700  1.0 1.0
   64    53    54    60   0.15600 -1.0 2.0
   64    53    54    60  -0.50800  1.0 3.0
   64    61    65    66   0.15000  1.0 3.0
   64    61    65    67   0.15000  1.0 3.0
   64    61    65    68   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.65300  1.0 1.0
   39    33   -37    44  -0.03850 -1.0 2.0
   39    33   -37    44   0.33900  1.0 3.0
   39    33    42    43   0.62750  1.0 1.0
   39    33    42    43  -0.30950 -1.0 2.0
   39    33    42    43   0.27300  1.0 3.0
   39    33    42    46  -0.95700  1.0 1.0
   39    33    42    46  -0.18200 -1.0 2.0
   39    33    42    46   0.29450  1.0 3.0
   39    33    42    49   0.56750  1.0 1.0
   39    33    42    49  -0.07550 -1.0 2.0
   39    33    42    49   0.20000  1.0 3.0
   39    64    71    72   0.15000  1.0 3.0
   39    64    71    73   0.15000  1.0 3.0
   39    64    71    74   0.15000  1.0 3.0
   71    64    39    33   0.56750  1.0 1.0
   71    64    39    33  -0.07550 -1.0 2.0
   71    64    39    33   0.20000  1.0 3.0
   71    64    39    40   0.15000  1.0 3.0
   71    64    39    41   0.15000  1.0 3.0
   65    61    64    53   0.34400  1.0 1.0
   65    61    64    53   0.09450 -1.0 2.0
   65    61    64    53   0.11100  1.0 3.0
   65    61    64    39   0.56750  1.0 1.0
   65    61    64    39  -0.07550 -1.0 2.0
   65    61    64    39   0.20000  1.0 3.0
   65    61    64    71   0.56750  1.0 1.0
   65    61    64    71  -0.07550 -1.0 2.0
   65    61    64    71   0.20000  1.0 3.0
   63    58    61    62   0.23400  1.0 3.0
   63    58    61    64   0.62750  1.0 1.0
   63    58    61    64  -0.30950 -1.0 2.0
   63    58    61    64   0.27300  1.0 3.0
   63    58    61    65   0.62750  1.0 1.0
   63    58    61    65  -0.30950 -1.0 2.0
   63    58    61    65   0.27300  1.0 3.0
   63    69    75    76   0.00000  1.0 1.0
   63    69    75    77   0.00000  1.0 1.0
   63    69    75    78   0.00000  1.0 1.0
   70    69    75    76   0.00000  1.0 1.0
   70    69    75    77   0.00000  1.0 1.0
   70    69    75    78   0.00000  1.0 1.0
   60    54   -56    57   0.23400  1.0 3.0
   60    54   -56    58   0.02550  1.0 1.0
   60    54   -56    58  -0.02600 -1.0 2.0
   60    54   -56    58   1.20400  1.0 3.0
   60    56    58    59   0.23400  1.0 3.0
   60    56    58    61   0.02550  1.0 1.0
   60    56    58    61  -0.02600 -1.0 2.0
   60    56    58    61   1.20400  1.0 3.0
   60    56    58    63   1.11900  1.0 1.0
   60    56    58    63  -1.16350 -1.0 2.0
   60    56    58    63  -0.34150  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.65300  1.0 1.0
   42    33    37    44  -0.03850 -1.0 2.0
   42    33    37    44   0.33900  1.0 3.0
   42    33    39    64   0.56750  1.0 1.0
   42    33    39    64  -0.07550 -1.0 2.0
   42    33    39    64   0.20000  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
   43    42    46    47   0.30150 -1.0 2.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    49    50   0.23400  1.0 3.0
   43    42    49    51   0.23400  1.0 3.0
   43    42    49    52   0.23400  1.0 3.0
   46    42    49    50  -0.11250  1.0 3.0
   46    42    49    51  -0.11250  1.0 3.0
   46    42    49    52  -0.11250  1.0 3.0
   49    42    46    47   0.30150 -1.0 2.0
   49    42    46    48   0.74550  1.0 1.0
   49    42    46    48  -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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   37    45    44    53   1.10000 -1.0 2.0
   54    64    53    44   1.10000 -1.0 2.0
   63    75    69    70  10.50000 -1.0 2.0
   42    48    46    47  10.50000 -1.0 2.0
END
