* LIGAND DATABASE FILE (OPLS2005)
*
001      93    95    170    255     490
    1     0 S   NP   _N1_     1    28.88027    95.10868   -18.67630
    2     1 S   H    _HN1     2     1.02964    99.22258    41.98576
    3     1 S   H    _H1_     3     1.02834    38.39199   147.79286
    4     1 S   H    _H2_     4     1.02777    75.28144   -64.68880
    5     1 S   CT   _CA1     5     1.50142   144.05209  -172.45616
    6     5 S   HC   _HA1     6     1.09573   105.22694    34.00256
    7     5 S   CO3  _C1_     7     1.53805   112.38991   -86.17354
    8     7 S   O2Z  _O11     8     1.26361   115.01074   -42.03807
    9     7 S   O2Z  _O12     9     1.26243   114.93340   137.17499
   10     5 S   CT   _CB1    10     1.53102   107.40307   151.92602
   11    10 S   HC   HB11    11     1.09817   109.31539   -50.12932
   12    10 S   HC   HB12    12     1.09829   110.39015    66.41246
   13    10 S   CT   _CG1    13     1.53013   112.74607  -171.30959
   14    13 S   HC   HG11    14     1.09506   110.31464   -62.13595
   15    13 S   HC   HG12    15     1.09635   110.15092    56.93902
   16    13 S   C    _CD1    16     1.51836   112.20471   176.94591
   17    16 S   O    _OE1    17     1.22740   123.12856   -13.32625
   18    16 S   N    _N2_    18     1.38611   111.78810   167.73272
   19    18 S   H    _HN2    19     1.01589   119.02073     0.23407
   20    18 S   CT1  _CA2    20     1.46274   123.42052  -179.80119
   21    20 S   HC   _HA2    21     1.09738   109.31488   -14.82051
   22    20 S   C    _C2_    22     1.53439   108.16510  -130.39828
   23    22 S   O    _O2_    23     1.23007   122.29891  -145.41695
   24    20 S   CT   _CB2    32     1.53498   111.56568   107.37492
   25    24 S   HC   HB21    33     1.09583   109.72706    54.21726
   26    24 S   HC   HB22    34     1.09455   110.31458   173.23589
   27    22 S   N    _N3_    24     1.38528   113.31767    41.91584
   28    27 S   H    _HN3    25     1.01530   118.90806    -0.55461
   29    24 S   S    _SG2    35     1.82741   111.68678   -66.98537
   30    27 S   CT   _CA3    26     1.45451   123.45232   175.12846
   31    30 S   HC   HA31    27     1.09523   109.23684    24.31708
   32    30 S   HC   HA32    28     1.09496   107.11861   141.32500
   33    29 S   CT   _C26    36     1.84004   100.00707   164.66086
   34    33 S   HC   _H6_    37     1.09649   106.80023   -42.85702
   35    30 S   CO3  _C3_    29     1.52928   113.12759   -99.15827
   36    35 S   O2Z  _O31    30     1.26401   115.41582   -44.06461
   37    35 S   O2Z  _O32    31     1.26357   114.97522   136.87319
   38    33 S   CT   _C27    38     1.52834   110.00262    74.02732
   39    38 S   HC   _H27    39     1.09504   112.34259    56.71205
   40    38 S   HC   _H28    40     1.09505   111.39289   -64.42850
   41    38 S   HC   _H29    41     1.09573   110.38051   177.02389
   42    33 S   CT   _C24    42     1.54909   111.97862  -160.63709
   43    42 S   HC   _H5_    43     1.09864   108.14834   178.90157
   44    42 S   CO4  _C23    44     1.52528   110.76139    63.30801
   45    44 S   O    _O39    45     1.22280   124.67852  -112.80125
   46    42 S   CT   _C25    90     1.53160   115.26480   -62.87706
   47    46 S   HC   _H24    91     1.09445   112.31613    62.23123
   48    46 S   HC   _H25    92     1.09394   111.41959   -59.57911
   49    46 S   HC   _H26    93     1.09632   110.28776  -178.60450
   50    44 S   OS   _O38    46     1.36380   109.25485    67.15609
   51    50 S   CT   _C20    47     1.45432   121.68327  -175.62906
   52    51 S   CT   _C19    48     1.55241   112.39489   -58.13323
   53    52 S   HC   _H4_    49     1.10057   108.55403    80.65838
   54    51 S   CT   _C21    82     1.54067   109.26069    65.01148
   55    54 S   HC   _H18    83     1.09625   110.76601    50.81032
   56    54 S   HC   _H19    84     1.09455   111.79236   -67.50160
   57    54 S   HC   _H20    85     1.09496   111.54511   171.80787
   58    51 S   CT   _C22    86     1.54103   105.28005   179.04591
   59    58 S   HC   _H21    87     1.09710   110.35457   -57.06544
   60    58 S   HC   _H22    88     1.09242   112.30274    60.28629
   61    58 S   HC   _H23    89     1.09468   112.22636  -177.37535
   62    52 S   CT   _C9_    50     1.55096   117.90073   -40.75573
   63    62 S   HC   _H3_    51     1.09530   110.69614    94.39117
   64    62 S   CA   _C10    52     1.48343    98.79190  -147.62525
   65    62 S   OS   _O34    68     1.43017   112.87639   -33.84289
   66    64 S   CA   _C11    53     1.38434   109.86638    14.47130
   67    65 S   CO4  _C8_    69     1.35776   117.61001   126.00302
   68    67 S   O    _O33    70     1.22134   127.43397     0.18345
   69    66 S   CA   _C12    54     1.38287   122.06853   177.03522
   70    69 S   HA   _H14    55     1.08459   121.12810  -179.54976
   71    52 S   OS   _O37    67     1.45905   109.89798  -165.64736
   72    67 S   CM   _C6_    71     1.48283   109.14722  -175.12396
   73    69 S   CA   _C13    56     1.39905   118.14751     0.67115
   74    73 S   HA   _H15    57     1.08761   118.97776   179.80218
   75    72 S   CM   _C5_    72     1.34460   121.86951   -57.45721
   76    75 S   HC   _H10    73     1.08899   117.93735   178.99770
   77    72 S   CT   _C7_    78     1.49798   115.11960   123.04313
   78    77 S   HC   _H11    79     1.09514   110.27416   -59.84604
   79    77 S   HC   _H12    80     1.09492   110.62050    60.15209
   80    77 S   HC   _H13    81     1.09505   112.04382  -179.71196
   81    73 S   CA   _C14    58     1.40613   120.52269    -0.36744
   82    75 S   CT   _C4_    74     1.49549   127.82671    -2.80170
   83    82 S   HC   _H7_    75     1.09491   109.42881  -132.86856
   84    82 S   HC   _H8_    76     1.09396   110.05828   108.41014
   85    82 S   HC   _H9_    77     1.09196   113.17166   -13.61184
   86    64 S   CA   _C15    59     1.38171   130.34525  -168.30639
   87    86 S   OS   _O35    60     1.40413   118.85394     2.57070
   88    87 S   CO4  _C16    61     1.39013   121.28769  -179.31414
   89    88 S   O    _O36    62     1.22605   122.04162   179.51141
   90    88 S   CM   _C17    63     1.47474   116.90561    -0.52302
   91    90 S   HC   _H16    64     1.08435   117.06600  -179.64064
   92    81 S   CM   _C18    65     1.45371   121.96934  -179.61794
   93    92 S   HC   _H17    66     1.08438   119.09408    -0.74309
  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  13  16  18   8   9   3   2   1   5   2   1   1  12   6  12
   8   8   9   3   7   4   2  10   7   3   9   5   4   2   1   1
   7   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    54    58    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    62    71    54    55    56    57    58    59    60    61  
   52    53    62    63    64    66    71    65    54    55    56    57    58    59    60    61  
   53    62    63    64    66    69    86    71    65    67    54    55    56    57    58    59    60    61  
   62    63    64    66    71    65    54    58  
   55    56    57    58    59    60    61    62    71  
   56    57    58  
   57    58  
   58  
   59    60    61    62    71  
   60    61  
   61  
    0  
   63    64    66    69    81    86    87    71    65    67    68    72  
   64    66    86    71    65    67  
   66    69    70    73    81    86    87    88    92    71    65    67  
   67    68    72    75    77    66    71    86  
   69    70    73    74    81    86    87    71  
   68    72    75    76    82    77    78    79    80  
   72    75    77  
   70    73    74    81    86    92    71  
   73    74    81    71  
   73    86  
   75    76    82    83    84    85    77    78    79    80  
   74    81    86    87    90    92    93  
   81    86    92  
   76    82    83    84    85    77    78    79    80  
   82    83    84    85    77  
   78    79    80    82  
   79    80  
   80  
    0  
   86    87    88    90    91    92    93  
   83    84    85  
   84    85  
   85  
    0  
   87    88    89    90    92    93  
   88    89    90    91    92  
   89    90    91    92    93  
   90    91    92  
   91    92    93  
   92    93  
   93  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   93   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   340.000  1.090
   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   268.000  1.529
   51    54   268.000  1.529
   51    58   268.000  1.529
   52    53   340.000  1.090
   52    62   268.000  1.529
   52    71   320.000  1.410
   62    63   340.000  1.090
   62    64   317.000  1.510
   62    65   320.000  1.410
   64    66   469.000  1.400
   64    86   469.000  1.400
   66    69   469.000  1.400
   66    71   450.000  1.364
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   73    81   469.000  1.400
   81    86   469.000  1.400
   81    92   320.000  1.460
   86    87   450.000  1.364
   87    88   214.000  1.327
   88    89   570.000  1.229
   88    90   320.000  1.462
   90    91   340.000  1.080
   90    92   549.000  1.340
   92    93   340.000  1.080
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    72   320.000  1.462
   72    75   549.000  1.340
   72    77   317.000  1.510
   75    76   340.000  1.080
   75    82   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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    37.50000  110.70000
   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    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    50.00000  109.50000
   50    51    54    50.00000  109.50000
   50    51    58    50.00000  109.50000
   51    52    53    37.50000  110.70000
   51    52    62    58.35000  112.70000
   51    52    71    50.00000  109.50000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   52    62    63    37.50000  110.70000
   52    62    64    70.00000  112.17500
   52    62    65    50.00000  109.50000
   52    71    66    75.00000  111.00000
   62    52    53    37.50000  110.70000
   62    64    66    70.00000  120.00000
   62    64    86    70.00000  120.00000
   62    65    67    83.00000  116.90000
   64    62    63    35.00000  109.50000
   64    66    69    63.00000  120.00000
   64    66    71    70.00000  120.00000
   64    86    81    63.00000  120.00000
   64    86    87    70.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    73    63.00000  120.00000
   69    73    74    35.00000  120.00000
   69    73    81    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    81    86    63.00000  120.00000
   73    81    92    60.00000  120.93500
   81    73    74    35.00000  120.00000
   81    86    87    70.00000  120.00000
   81    92    90    60.00000  123.20500
   81    92    93    40.00000  117.26300
   86    64    66    63.00000  120.00000
   86    87    88    85.00000  115.98000
   87    88    89    83.00000  123.40000
   87    88    90    90.00000  111.29400
   88    90    91    40.00000  117.72500
   88    90    92    65.00000  118.96000
   90    88    89    80.00000  123.72100
   90    92    93    35.00000  120.00000
   92    81    86    60.00000  120.93500
   92    90    91    35.00000  120.00000
   71    52    53    35.00000  109.50000
   71    52    62    50.00000  109.50000
   71    66    69    70.00000  120.00000
   65    62    63    35.00000  109.50000
   65    62    64    85.00000  111.85700
   65    67    68    83.00000  123.40000
   65    67    72    90.00000  111.29400
   67    72    75    65.00000  118.96000
   67    72    77    65.00000  116.34900
   72    67    68    80.00000  123.72100
   72    75    76    35.00000  120.00000
   72    75    82    70.00000  124.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    82    83    35.00000  109.50000
   75    82    84    35.00000  109.50000
   75    82    85    35.00000  109.50000
   82    75    76    35.00000  117.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   77    72    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    51    52    58.35000  112.70000
   58    51    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   46    42    43    37.50000  110.70000
   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   0.15000  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   0.15000  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   0.15000  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   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  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  -0.25900  1.0 1.0
   44    50    51    52  -0.47000 -1.0 2.0
   44    50    51    52   0.11750  1.0 3.0
   44    50    51    54  -0.25900  1.0 1.0
   44    50    51    54  -0.47000 -1.0 2.0
   44    50    51    54   0.11750  1.0 3.0
   44    50    51    58  -0.25900  1.0 1.0
   44    50    51    58  -0.47000 -1.0 2.0
   44    50    51    58   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    52    53   0.23400  1.0 3.0
   50    51    52    62   0.62750  1.0 1.0
   50    51    52    62  -0.30950 -1.0 2.0
   50    51    52    62   0.27300  1.0 3.0
   50    51    52    71   1.11900  1.0 1.0
   50    51    52    71  -1.16350 -1.0 2.0
   50    51    52    71  -0.34150  1.0 3.0
   50    51    54    55   0.23400  1.0 3.0
   50    51    54    56   0.23400  1.0 3.0
   50    51    54    57   0.23400  1.0 3.0
   50    51    58    59   0.23400  1.0 3.0
   50    51    58    60   0.23400  1.0 3.0
   50    51    58    61   0.23400  1.0 3.0
   51    52    62    63   0.15000  1.0 3.0
   51    52    62    64  -0.03700  1.0 1.0
   51    52    62    64   0.37200 -1.0 2.0
   51    52    62    64  -0.47300  1.0 3.0
   51    52    62    65   0.62750  1.0 1.0
   51    52    62    65  -0.30950 -1.0 2.0
   51    52    62    65   0.27300  1.0 3.0
   51    52    71    66  -0.32850  1.0 1.0
   51    52    71    66  -0.35800 -1.0 2.0
   51    52    71    66   0.33950  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   52    62   -64    66   0.04150 -1.0 2.0
   52    62    64    86   0.04150 -1.0 2.0
   52    62    65    67  -0.25900  1.0 1.0
   52    62    65    67  -0.47000 -1.0 2.0
   52    62    65    67   0.11750  1.0 3.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    64   0.43200  1.0 3.0
   53    52    62    65   0.23400  1.0 3.0
   53    52    71    66   0.08050  1.0 3.0
   62    52   -71    66  -0.32850  1.0 1.0
   62    52   -71    66  -0.35800 -1.0 2.0
   62    52   -71    66   0.33950  1.0 3.0
   62    64    66    69   3.62500 -1.0 2.0
   62    64   -66    71   3.62500 -1.0 2.0
   62    64    86    81   3.62500 -1.0 2.0
   62    64    86    87   3.62500 -1.0 2.0
   62    65    67    68   3.00000 -1.0 2.0
   62    65    67    72   2.00000 -1.0 2.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    86   0.00000  1.0 1.0
   63    62    65    67   0.08050  1.0 3.0
   64    62    65    67  -0.43900 -1.0 2.0
   64    62    65    67   0.14100  1.0 3.0
   64    66    69    70   3.62500 -1.0 2.0
   64    66    69    73   3.62500 -1.0 2.0
   64    66   -71    52   1.63200 -1.0 2.0
   64    86    87    88   0.01300  1.0 1.0
   64    86    87    88   0.97950 -1.0 2.0
   64    86    87    88  -0.55700  1.0 3.0
   66    64    86    81   3.62500 -1.0 2.0
   66    64    86    87   3.62500 -1.0 2.0
   66    69    73    74   3.62500 -1.0 2.0
   66    69   -73    81   3.62500 -1.0 2.0
   69    66    71    52   1.63200 -1.0 2.0
   69    73    81    86   3.62500 -1.0 2.0
   69    73    81    92   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   70    69    73    81   3.62500 -1.0 2.0
   73    81   -86    64   3.62500 -1.0 2.0
   73    81    86    87   3.62500 -1.0 2.0
   73    81    92    90   0.15800  1.0 1.0
   73    81    92    90   1.85350 -1.0 2.0
   73    81    92    90  -0.48700  1.0 3.0
   73    81    92    93   0.56550  1.0 3.0
   74    73    81    86   3.62500 -1.0 2.0
   74    73    81    92   3.62500 -1.0 2.0
   81    86    87    88   0.01300  1.0 1.0
   81    86    87    88   0.97950 -1.0 2.0
   81    86    87    88  -0.55700  1.0 3.0
   86    64   -66    69   3.62500 -1.0 2.0
   86    64    66    71   3.62500 -1.0 2.0
   86    81    92    90   0.15800  1.0 1.0
   86    81    92    90   1.85350 -1.0 2.0
   86    81    92    90  -0.48700  1.0 3.0
   86    81    92    93   0.56550  1.0 3.0
   86    87    88    89   3.00000 -1.0 2.0
   86    87   -88    90   2.00000 -1.0 2.0
   87    88    90    91   1.63100 -1.0 2.0
   87    88    90    92  -0.56150  1.0 1.0
   87    88    90    92   2.19150 -1.0 2.0
   88    90   -92    81   7.00000 -1.0 2.0
   88    90    92    93   7.00000 -1.0 2.0
   89    88    90    91   0.00000  1.0 1.0
   89    88    90    92   1.00000 -1.0 2.0
   91    90    92    81   7.00000 -1.0 2.0
   91    90    92    93   7.00000 -1.0 2.0
   92    81    86    64   3.62500 -1.0 2.0
   92    81   -86    87   3.62500 -1.0 2.0
   71    52    62    63   0.23400  1.0 3.0
   71    52   -62    64  -0.64350  1.0 1.0
   71    52   -62    64  -0.04200 -1.0 2.0
   71    52   -62    64   0.19800  1.0 3.0
   71    52    62    65   1.11900  1.0 1.0
   71    52    62    65  -1.16350 -1.0 2.0
   71    52    62    65  -0.34150  1.0 3.0
   71    66    69    70   3.62500 -1.0 2.0
   71    66    69    73   3.62500 -1.0 2.0
   65    62    64    66   0.64500  1.0 1.0
   65    62    64    66   0.14800 -1.0 2.0
   65    62    64    66   0.20650  1.0 3.0
   65    62    64    86   0.64500  1.0 1.0
   65    62    64    86   0.14800 -1.0 2.0
   65    62    64    86   0.20650  1.0 3.0
   65    67    72    75  -0.56150  1.0 1.0
   65    67    72    75   2.19150 -1.0 2.0
   65    67    72    77  -0.15000  1.0 1.0
   65    67    72    77   0.89550 -1.0 2.0
   65    67    72    77  -0.06900  1.0 3.0
   67    72    75    76   7.00000 -1.0 2.0
   67    72    75    82   7.00000 -1.0 2.0
   67    72    77    78   0.15000  1.0 3.0
   67    72    77    79   0.15000  1.0 3.0
   67    72    77    80   0.15000  1.0 3.0
   68    67    72    75   1.00000 -1.0 2.0
   68    67    72    77  -0.64400  1.0 1.0
   68    67    72    77   0.26850 -1.0 2.0
   72    75    82    83   0.00000  1.0 1.0
   72    75    82    84   0.00000  1.0 1.0
   72    75    82    85   0.00000  1.0 1.0
   75    72    77    78   0.00000  1.0 1.0
   75    72    77    79   0.00000  1.0 1.0
   75    72    77    80   0.00000  1.0 1.0
   76    75    82    83   0.33100  1.0 3.0
   76    75    82    84   0.33100  1.0 3.0
   76    75    82    85   0.33100  1.0 3.0
   77    72    75    76   7.00000 -1.0 2.0
   77    72    75    82   7.00000 -1.0 2.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    62   0.56750  1.0 1.0
   54    51    52    62  -0.07550 -1.0 2.0
   54    51    52    62   0.20000  1.0 3.0
   54    51    52    71   0.62750  1.0 1.0
   54    51    52    71  -0.30950 -1.0 2.0
   54    51    52    71   0.27300  1.0 3.0
   54    51    58    59   0.15000  1.0 3.0
   54    51    58    60   0.15000  1.0 3.0
   54    51    58    61   0.15000  1.0 3.0
   58    51    52    53   0.15000  1.0 3.0
   58    51    52    62   0.56750  1.0 1.0
   58    51    52    62  -0.07550 -1.0 2.0
   58    51    52    62   0.20000  1.0 3.0
   58    51    52    71   0.62750  1.0 1.0
   58    51    52    71  -0.30950 -1.0 2.0
   58    51    52    71   0.27300  1.0 3.0
   58    51    54    55   0.15000  1.0 3.0
   58    51    54    56   0.15000  1.0 3.0
   58    51    54    57   0.15000  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
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
   42    50    44    45  10.50000 -1.0 2.0
   66    86    64    62   4.00000 -1.0 2.0
   69    71    66    64   4.00000 -1.0 2.0
   73    70    69    66   1.10000 -1.0 2.0
   81    74    73    69   1.10000 -1.0 2.0
   86    92    81    73   4.00000 -1.0 2.0
   81    87    86    64   4.00000 -1.0 2.0
   87    90    88    89  10.50000 -1.0 2.0
   88    91    90    92   1.10000 -1.0 2.0
   81    93    92    90   1.10000 -1.0 2.0
   65    72    67    68  10.50000 -1.0 2.0
   67    77    72    75  15.00000 -1.0 2.0
   82    76    75    72  15.00000 -1.0 2.0
END
