* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    158    239     459
    1     0 S   NP   _N1_     1    29.24975    94.72474   -17.16328
    2     1 S   H    _HN1     2     1.02984   109.10307    44.66993
    3     1 S   H    _H1_     3     1.02823    38.93642   138.32203
    4     1 S   H    _H2_     4     1.02768    70.62733   -58.68925
    5     1 S   CT   _CA1     5     1.50182   136.67277  -161.00847
    6     5 S   HC   _HA1     6     1.09577   105.19832    23.30346
    7     5 S   CO3  _C1_     7     1.53784   112.41459   -96.66365
    8     7 S   O2Z  _O11     8     1.26330   114.98707   -39.88470
    9     7 S   O2Z  _O12     9     1.26240   114.91650   139.13702
   10     5 S   CT   _CB1    10     1.53069   107.30294   141.07564
   11    10 S   HC   HB11    11     1.09806   109.13158   -51.21231
   12    10 S   HC   HB12    12     1.09839   110.37480    65.20061
   13    10 S   CT   _CG1    13     1.53028   112.91293  -172.60774
   14    13 S   HC   HG11    14     1.09505   109.95489   -63.50059
   15    13 S   HC   HG12    15     1.09606   110.40237    55.59587
   16    13 S   C    _CD1    16     1.51852   111.92262   175.42410
   17    16 S   O    _OE1    17     1.22776   122.91422   -22.05359
   18    16 S   N    _N2_    18     1.38584   112.06701   159.22787
   19    18 S   H    _HN2    19     1.01548   119.10991     1.56010
   20    18 S   CT1  _CA2    20     1.46332   123.37147  -176.59786
   21    20 S   HC   _HA2    21     1.09734   109.26461   -18.12691
   22    20 S   C    _C2_    22     1.53374   108.23779  -133.90732
   23    22 S   O    _O2_    23     1.23005   122.34183  -145.66826
   24    20 S   CT   _CB2    32     1.53615   111.42655   103.95136
   25    24 S   HC   HB21    33     1.09527   109.48977    55.60402
   26    24 S   HC   HB22    34     1.09468   110.54328   174.44790
   27    22 S   N    _N3_    24     1.38542   113.27747    41.68835
   28    27 S   H    _HN3    25     1.01539   118.87048    -0.48819
   29    24 S   S    _SG2    35     1.82665   111.48604   -65.66430
   30    27 S   CT   _CA3    26     1.45439   123.40098   175.14897
   31    30 S   HC   HA31    27     1.09528   109.15138    25.84324
   32    30 S   HC   HA32    28     1.09493   107.13798   142.83491
   33    29 S   CT   _C23    36     1.85732   100.25824   160.57040
   34    33 S   HC   _H3_    37     1.09721   105.90901   -34.39827
   35    30 S   CO3  _C3_    29     1.52932   113.19605   -97.57512
   36    35 S   O2Z  _O31    30     1.26396   115.44724   -43.51232
   37    35 S   O2Z  _O32    31     1.26362   114.95537   137.43905
   38    33 S   CT   _C21    38     1.53477   108.37691    80.12909
   39    38 S   HC   _H46    39     1.09534   112.19682    64.50477
   40    38 S   HC   _H47    40     1.09564   111.35885   -56.46921
   41    38 S   HC   _H48    41     1.09449   111.03655  -174.71817
   42    33 S   CT   _C24    42     1.56969   112.87861  -151.06517
   43    42 S   OM   _O22    43     1.32174   111.75243   -62.89049
   44    42 S   CO4  _C14    44     1.54483   109.22813    57.70930
   45    44 S   O    _O25    45     1.22560   126.37138  -107.58011
   46    42 S   CT   _C22    83     1.54568   111.42199   177.79771
   47    46 S   HC   _H49    84     1.09767   112.84578    69.33985
   48    46 S   HC   _H50    85     1.09824   111.66044  -170.16005
   49    46 S   HC   _H51    86     1.09693   111.20551   -51.07155
   50    44 S   OS   _O29    46     1.37051   109.38491    69.63724
   51    50 S   CT   _C16    47     1.44214   118.00613  -174.75342
   52    51 S   HC   _H36    48     1.10049   109.16164    40.95551
   53    51 S   CT   _C15    49     1.53534   111.28248   -78.19292
   54    53 S   HC   _H35    50     1.09634   108.64774    73.48154
   55    53 S   CA   _C7_    51     1.50496   109.94844  -166.71065
   56    53 S   OS   _O28    76     1.44310   110.30495   -48.42637
   57    55 S   CA   _C8_    52     1.39898   121.08796    17.33678
   58    56 S   CO4  _C13    77     1.36123   118.28670   111.20811
   59    58 S   O    _O24    78     1.22253   126.83107     1.42629
   60    57 S   CA   _C5_    53     1.39991   120.40660  -178.68151
   61    60 S   HA   _H32    54     1.08735   120.03653   178.99167
   62    57 S   OS   _O27    66     1.36893   124.42603     0.04846
   63    58 S   CT   _C18    79     1.49830   109.26157  -178.58224
   64    63 S   HC   _H37    80     1.09285   109.82547   -61.70317
   65    63 S   HC   _H38    81     1.09375   109.36944   179.16678
   66    63 S   HC   _H39    82     1.09304   109.78684    60.20337
   67    60 S   CA   _C4_    55     1.39574   120.62526    -0.96995
   68    67 S   HA   _H31    56     1.08696   119.16362  -179.96044
   69    51 S   CT   _C17    67     1.54798   109.22103   157.94528
   70    67 S   CA   _C6_    57     1.39386   119.87507     0.06256
   71    69 S   CT   _C19    68     1.54016   109.02922   -63.57836
   72    71 S   HC   _H40    69     1.09644   110.93631  -175.17018
   73    71 S   HC   _H41    70     1.09412   112.09180    63.66641
   74    71 S   HC   _H42    71     1.09482   110.69341   -57.76690
   75    69 S   CT   _C20    72     1.53833   114.70446    56.76152
   76    75 S   HC   _H43    73     1.09684   110.46861  -174.00119
   77    75 S   HC   _H44    74     1.09389   112.15136    69.04437
   78    75 S   HC   _H45    75     1.09451   111.95708   -53.56615
   79    55 S   CA   _C9_    58     1.40430   121.04278  -162.76892
   80    79 S   OS   _O26    59     1.41526   118.16370    -0.74072
   81    80 S   CO4  _C12    60     1.38939   122.32572   179.87489
   82    81 S   O    _O23    61     1.22589   122.21733   179.64282
   83    81 S   CM   _C11    62     1.47290   116.63212    -0.25793
   84    83 S   HC   _H34    63     1.08418   117.17100  -179.77532
   85    70 S   CM   _C10    64     1.45360   121.79420  -179.86583
   86    85 S   HC   _H33    65     1.08450   119.00122    -0.02798
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  10  18   8  15   6  13   9  11   5   4   8   4  11   3   2
   1   1   7   3   8   7   7   3   2   1   3   2   1   1   6   5
   5   3   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    69    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    62    69    71    75    56  
   52    53    54    55    57    79    62    69    71    72    73    74    75    76    77    78    56    58  
   53    54    55    62    69    71    75    56  
   54    55    57    60    70    79    80    62    69    71    75    56    58    59    63  
   55    57    79    69    56    58  
   57    60    61    67    70    79    80    81    85    62    69    56    58  
   58    59    63    64    65    66    57    69    79  
   60    61    67    68    70    79    80    62    69    71    75  
   59    63    64    65    66  
   63    64    65    66  
   61    67    68    70    79    85    62    69  
   67    68    70    62  
   69    71    72    73    74    75    76    77    78    67    79  
   64    65    66  
   65    66  
   66  
    0  
   68    70    79    80    83    85    86  
   70    79    85  
   71    72    73    74    75    76    77    78  
   79    80    81    83    84    85    86  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    85    86  
   81    82    83    84    85  
   82    83    84    85    86  
   83    84    85  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   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   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   570.000  1.307
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    69   268.000  1.529
   53    54   340.000  1.090
   53    55   317.000  1.510
   53    56   320.000  1.410
   55    57   469.000  1.400
   55    79   469.000  1.400
   57    60   469.000  1.400
   57    62   450.000  1.364
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    68   367.000  1.080
   67    70   469.000  1.400
   70    79   469.000  1.400
   70    85   320.000  1.460
   79    80   450.000  1.364
   80    81   214.000  1.327
   81    82   570.000  1.229
   81    83   320.000  1.462
   83    84   340.000  1.080
   83    85   549.000  1.340
   85    86   340.000  1.080
   62    69   320.000  1.410
   69    71   268.000  1.529
   69    75   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    50.00000  109.50000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    90.00000  108.74100
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    69    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    70.00000  112.17500
   51    53    56    50.00000  109.50000
   51    69    62    50.00000  109.50000
   51    69    71    58.35000  112.70000
   51    69    75    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    55    57    70.00000  120.00000
   53    55    79    70.00000  120.00000
   53    56    58    83.00000  116.90000
   55    53    54    35.00000  109.50000
   55    57    60    63.00000  120.00000
   55    57    62    70.00000  120.00000
   55    79    70    63.00000  120.00000
   55    79    80    70.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    67    63.00000  120.00000
   57    62    69    75.00000  111.00000
   60    67    68    35.00000  120.00000
   60    67    70    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    70    79    63.00000  120.00000
   67    70    85    60.00000  120.93500
   70    67    68    35.00000  120.00000
   70    79    80    70.00000  120.00000
   70    85    83    60.00000  123.20500
   70    85    86    40.00000  117.26300
   79    55    57    63.00000  120.00000
   79    80    81    85.00000  115.98000
   80    81    82    83.00000  123.40000
   80    81    83    90.00000  111.29400
   81    83    84    40.00000  117.72500
   81    83    85    65.00000  118.96000
   83    81    82    80.00000  123.72100
   83    85    86    35.00000  120.00000
   85    70    79    60.00000  120.93500
   85    83    84    35.00000  120.00000
   62    57    60    70.00000  120.00000
   62    69    71    50.00000  109.50000
   62    69    75    50.00000  109.50000
   69    51    52    37.50000  110.70000
   69    51    53    58.35000  112.70000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    74    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    69    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    85.00000  111.85700
   56    58    59    83.00000  123.40000
   56    58    63    81.00000  111.40000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   63    58    59    80.00000  120.40000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   46    42    43    50.00000  109.50000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    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    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.23400  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.62750  1.0 1.0
   38    33    42    43  -0.30950 -1.0 2.0
   38    33    42    43   0.27300  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.30150 -1.0 2.0
   43    42    44    50   0.40000  1.0 3.0
   43    42    46    47   0.23400  1.0 3.0
   43    42    46    48   0.23400  1.0 3.0
   43    42    46    49   0.23400  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.25900  1.0 1.0
   44    50    51    53  -0.47000 -1.0 2.0
   44    50    51    53   0.11750  1.0 3.0
   44    50    51    69  -0.25900  1.0 1.0
   44    50    51    69  -0.47000 -1.0 2.0
   44    50    51    69   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55  -0.64350  1.0 1.0
   50    51    53    55  -0.04200 -1.0 2.0
   50    51    53    55   0.19800  1.0 3.0
   50    51    53    56   1.11900  1.0 1.0
   50    51    53    56  -1.16350 -1.0 2.0
   50    51    53    56  -0.34150  1.0 3.0
   50    51    69    62   1.11900  1.0 1.0
   50    51    69    62  -1.16350 -1.0 2.0
   50    51    69    62  -0.34150  1.0 3.0
   50    51    69    71   0.62750  1.0 1.0
   50    51    69    71  -0.30950 -1.0 2.0
   50    51    69    71   0.27300  1.0 3.0
   50    51    69    75   0.62750  1.0 1.0
   50    51    69    75  -0.30950 -1.0 2.0
   50    51    69    75   0.27300  1.0 3.0
   51    53    55    57   0.04150 -1.0 2.0
   51    53    55    79   0.04150 -1.0 2.0
   51    53    56    58  -0.25900  1.0 1.0
   51    53    56    58  -0.47000 -1.0 2.0
   51    53    56    58   0.11750  1.0 3.0
   51    69    71    72   0.15000  1.0 3.0
   51    69    71    73   0.15000  1.0 3.0
   51    69    71    74   0.15000  1.0 3.0
   51    69    75    76   0.15000  1.0 3.0
   51    69    75    77   0.15000  1.0 3.0
   51    69    75    78   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.43200  1.0 3.0
   52    51    53    56   0.23400  1.0 3.0
   52    51    69    62   0.23400  1.0 3.0
   52    51    69    71   0.15000  1.0 3.0
   52    51    69    75   0.15000  1.0 3.0
   53    51    69    62   0.62750  1.0 1.0
   53    51    69    62  -0.30950 -1.0 2.0
   53    51    69    62   0.27300  1.0 3.0
   53    51    69    71   0.56750  1.0 1.0
   53    51    69    71  -0.07550 -1.0 2.0
   53    51    69    71   0.20000  1.0 3.0
   53    51    69    75   0.56750  1.0 1.0
   53    51    69    75  -0.07550 -1.0 2.0
   53    51    69    75   0.20000  1.0 3.0
   53    55    57    60   3.62500 -1.0 2.0
   53    55   -57    62   3.62500 -1.0 2.0
   53    55    79    70   3.62500 -1.0 2.0
   53    55    79    80   3.62500 -1.0 2.0
   53    56    58    59   3.00000 -1.0 2.0
   53    56    58    63   1.63150  1.0 1.0
   53    56    58    63   2.92000 -1.0 2.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    79   0.00000  1.0 1.0
   54    53    56    58   0.08050  1.0 3.0
   55    53    56    58  -0.43900 -1.0 2.0
   55    53    56    58   0.14100  1.0 3.0
   55    57    60    61   3.62500 -1.0 2.0
   55    57    60    67   3.62500 -1.0 2.0
   55    57    62    69   1.63200 -1.0 2.0
   55    79    80    81   0.01300  1.0 1.0
   55    79    80    81   0.97950 -1.0 2.0
   55    79    80    81  -0.55700  1.0 3.0
   57    55    79    70   3.62500 -1.0 2.0
   57    55    79    80   3.62500 -1.0 2.0
   57    60    67    68   3.62500 -1.0 2.0
   57    60   -67    70   3.62500 -1.0 2.0
   57    62   -69    51  -0.32850  1.0 1.0
   57    62   -69    51  -0.35800 -1.0 2.0
   57    62   -69    51   0.33950  1.0 3.0
   57    62    69    71  -0.32850  1.0 1.0
   57    62    69    71  -0.35800 -1.0 2.0
   57    62    69    71   0.33950  1.0 3.0
   57    62    69    75  -0.32850  1.0 1.0
   57    62    69    75  -0.35800 -1.0 2.0
   57    62    69    75   0.33950  1.0 3.0
   60    57    62    69   1.63200 -1.0 2.0
   60    67    70    79   3.62500 -1.0 2.0
   60    67    70    85   3.62500 -1.0 2.0
   61    60    67    68   3.62500 -1.0 2.0
   61    60    67    70   3.62500 -1.0 2.0
   67    70   -79    55   3.62500 -1.0 2.0
   67    70    79    80   3.62500 -1.0 2.0
   67    70    85    83   0.15800  1.0 1.0
   67    70    85    83   1.85350 -1.0 2.0
   67    70    85    83  -0.48700  1.0 3.0
   67    70    85    86   0.56550  1.0 3.0
   68    67    70    79   3.62500 -1.0 2.0
   68    67    70    85   3.62500 -1.0 2.0
   70    79    80    81   0.01300  1.0 1.0
   70    79    80    81   0.97950 -1.0 2.0
   70    79    80    81  -0.55700  1.0 3.0
   79    55   -57    60   3.62500 -1.0 2.0
   79    55    57    62   3.62500 -1.0 2.0
   79    70    85    83   0.15800  1.0 1.0
   79    70    85    83   1.85350 -1.0 2.0
   79    70    85    83  -0.48700  1.0 3.0
   79    70    85    86   0.56550  1.0 3.0
   79    80    81    82   3.00000 -1.0 2.0
   79    80   -81    83   2.00000 -1.0 2.0
   80    81    83    84   1.63100 -1.0 2.0
   80    81    83    85  -0.56150  1.0 1.0
   80    81    83    85   2.19150 -1.0 2.0
   81    83   -85    70   7.00000 -1.0 2.0
   81    83    85    86   7.00000 -1.0 2.0
   82    81    83    84   0.00000  1.0 1.0
   82    81    83    85   1.00000 -1.0 2.0
   84    83    85    70   7.00000 -1.0 2.0
   84    83    85    86   7.00000 -1.0 2.0
   85    70    79    55   3.62500 -1.0 2.0
   85    70   -79    80   3.62500 -1.0 2.0
   62    57    60    61   3.62500 -1.0 2.0
   62    57    60    67   3.62500 -1.0 2.0
   62    69    71    72   0.23400  1.0 3.0
   62    69    71    73   0.23400  1.0 3.0
   62    69    71    74   0.23400  1.0 3.0
   62    69    75    76   0.23400  1.0 3.0
   62    69    75    77   0.23400  1.0 3.0
   62    69    75    78   0.23400  1.0 3.0
   69    51    53    54   0.15000  1.0 3.0
   69    51   -53    55  -0.03700  1.0 1.0
   69    51   -53    55   0.37200 -1.0 2.0
   69    51   -53    55  -0.47300  1.0 3.0
   69    51    53    56   0.62750  1.0 1.0
   69    51    53    56  -0.30950 -1.0 2.0
   69    51    53    56   0.27300  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    78   0.15000  1.0 3.0
   75    69    71    72   0.15000  1.0 3.0
   75    69    71    73   0.15000  1.0 3.0
   75    69    71    74   0.15000  1.0 3.0
   56    53    55    57   0.64500  1.0 1.0
   56    53    55    57   0.14800 -1.0 2.0
   56    53    55    57   0.20650  1.0 3.0
   56    53    55    79   0.64500  1.0 1.0
   56    53    55    79   0.14800 -1.0 2.0
   56    53    55    79   0.20650  1.0 3.0
   56    58    63    64   0.00000  1.0 1.0
   56    58    63    65   0.00000  1.0 1.0
   56    58    63    66   0.00000  1.0 1.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    65   0.00000  1.0 1.0
   59    58    63    66   0.00000  1.0 1.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   57    79    55    53   4.00000 -1.0 2.0
   60    62    57    55   4.00000 -1.0 2.0
   67    61    60    57   1.10000 -1.0 2.0
   70    68    67    60   1.10000 -1.0 2.0
   79    85    70    67   4.00000 -1.0 2.0
   70    80    79    55   4.00000 -1.0 2.0
   80    83    81    82  10.50000 -1.0 2.0
   81    84    83    85   1.10000 -1.0 2.0
   70    86    85    83   1.10000 -1.0 2.0
   56    63    58    59  10.50000 -1.0 2.0
END
