* LIGAND DATABASE FILE (OPLS2005)
*
001      80    80    143    200     405
    1     0 S   NP   _N1_     1    28.97193    94.76434   -20.60797
    2     1 S   H    _HN1     2     1.02950    89.76313    27.45418
    3     1 S   H    _H1_     3     1.02837    35.49196   148.29495
    4     1 S   H    _H2_     4     1.02787    84.96920   -80.94192
    5     1 S   CT   _CA1     5     1.50067   146.06788   155.84320
    6     5 S   HC   _HA1     6     1.09570   105.29474    54.64267
    7     5 S   CO3  _C1_     7     1.53824   112.30016   -65.73743
    8     7 S   O2Z  _O11     8     1.26374   115.06462   -47.27678
    9     7 S   O2Z  _O12     9     1.26233   114.94292   132.09037
   10     5 S   CT   _CB1    10     1.53098   107.45564   172.63667
   11    10 S   HC   HB11    11     1.09820   109.57259   -50.03888
   12    10 S   HC   HB12    12     1.09822   110.36458    66.60147
   13    10 S   CT   _CG1    13     1.52957   112.50095  -171.06946
   14    13 S   HC   HG11    14     1.09464   110.38433   -59.88191
   15    13 S   HC   HG12    15     1.09638   110.06368    59.28516
   16    13 S   C    _CD1    16     1.51711   112.31856   179.81977
   17    16 S   O    _OE1    17     1.22724   123.26751    -5.10119
   18    16 S   N    _N2_    18     1.38617   111.63302   174.99907
   19    18 S   H    _HN2    19     1.01625   119.09941     1.75279
   20    18 S   CT1  _CA2    20     1.46216   123.33293  -179.64064
   21    20 S   HC   _HA2    21     1.09729   109.38241    -5.44331
   22    20 S   C    _C2_    22     1.53386   108.69447  -121.11047
   23    22 S   O    _O2_    23     1.23041   122.30095  -148.94400
   24    20 S   CT   _CB2    32     1.53311   111.24153   116.44769
   25    24 S   HC   HB21    33     1.09384   109.62597    58.65923
   26    24 S   HC   HB22    34     1.09525   110.57499   176.59763
   27    22 S   N    _N3_    24     1.38345   113.57941    38.61720
   28    27 S   H    _HN3    25     1.01627   119.52243    -3.76338
   29    24 S   S    _SG2    35     1.83089   111.25836   -64.50544
   30    27 S   CT   _CA3    26     1.45288   123.11414   176.92375
   31    30 S   HC   HA31    27     1.09553   107.54172   -63.29424
   32    30 S   HC   HA32    28     1.09558   107.92526    53.10605
   33    29 S   CT   _C8_    36     1.87382   100.81324   140.22428
   34    30 S   CO3  _C3_    29     1.52931   114.14904   175.06489
   35    34 S   O2Z  _O31    30     1.26366   116.06600    -1.10694
   36    34 S   O2Z  _O32    31     1.26434   114.41160   178.94724
   37    33 S   CO4  _C9_    37     1.51193   103.79199   163.64119
   38    37 S   O    _O35    38     1.22433   125.27626   -96.49276
   39    33 S   OS   _O36    76     1.41919   108.69508    46.26307
   40    37 S   CO4  _C10    39     1.49793   116.87089    81.48504
   41    40 S   O    _O34    40     1.22352   117.70832  -155.17286
   42    39 S   CT   _C11    77     1.42221   115.70969  -176.25273
   43    42 S   HC   _H6_    78     1.09364   107.89303  -174.72266
   44    42 S   HC   _H7_    79     1.09269   111.19551    67.20424
   45    42 S   HC   _H8_    80     1.09297   111.66694   -56.01695
   46    40 S   CM   _C5_    41     1.48835   119.09695    26.34663
   47    46 S   CM   _C6_    42     1.34817   121.61790    -8.05211
   48    46 S   CT   _C4_    72     1.50664   113.36475   170.47104
   49    48 S   HC   _H3_    73     1.09592   110.46880   -47.27583
   50    48 S   HC   _H4_    74     1.09209   113.71984  -166.36629
   51    48 S   HC   _H5_    75     1.09503   110.06787    72.38079
   52    33 S   CO4  _C7_    43     1.52952   105.52979   -76.33445
   53    52 S   O    _O33    44     1.23298   120.90631    88.48259
   54    47 S   CT   _C12    45     1.51792   124.01905   179.41818
   55    54 S   HC   _H9_    46     1.09498   110.91443    27.88266
   56    54 S   HC   _H10    47     1.09315   109.74441   141.67686
   57    54 S   CM   _C13    48     1.50415   111.58810   -92.86809
   58    57 S   HC   _H11    49     1.09021   113.98107    64.75210
   59    57 S   CM   _C14    50     1.34787   128.42253  -114.81099
   60    59 S   CT   _C15    51     1.50400   125.10425    -1.39142
   61    60 S   HC   _H12    52     1.09441   110.37558   112.23807
   62    60 S   HC   _H13    53     1.09151   113.65264    -8.62077
   63    60 S   HC   _H14    54     1.09529   110.09106  -128.20480
   64    59 S   CT   _C16    55     1.51862   119.71680   179.29975
   65    64 S   HC   _H15    56     1.09828   110.51780    14.65498
   66    64 S   HC   _H16    57     1.09765   108.55056   129.70537
   67    64 S   CT   _C17    58     1.53431   114.20479  -108.57260
   68    67 S   HC   _H17    59     1.09565   109.04787  -174.50424
   69    67 S   HC   _H18    60     1.09699   110.32123   -59.64708
   70    67 S   CM   _C18    61     1.50471   113.07556    61.82078
   71    70 S   HC   _H19    62     1.08917   114.33010   -86.34367
   72    70 S   CM   _C19    63     1.34639   127.36603    94.31995
   73    72 S   CT   _C20    64     1.50484   120.60562   178.90211
   74    73 S   HC   _H20    65     1.09491   110.28979   118.53794
   75    73 S   HC   _H21    66     1.09457   112.35393    -1.59004
   76    73 S   HC   _H22    67     1.09492   110.23430  -121.58896
   77    72 S   CT   _C21    68     1.50256   124.84600    -1.92519
   78    77 S   HC   _H23    69     1.09482   110.11232   115.15301
   79    77 S   HC   _H24    70     1.09536   110.05762  -125.48523
   80    77 S   HC   _H25    71     1.09258   113.38268    -5.82928
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   2   1   1  10   5   8   9   3   4   2   1   1  11  12   5
   2   1   1   5   1   7   4   3  10   3  11   7   3   2   1   8
   5   4   7   4   3  10   3   8   7   3   2   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    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    52    53    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    52    53    54    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    52    53    48    39    42  
   40    41    46    52    39  
   42    43    44    45    40    47    52    53  
   41    46    47    52    54    48    49    50    51  
   46    47    48  
   43    44    45    52  
   44    45  
   45  
    0  
   47    52    53    54    55    56    57    48    49    50    51  
   52    53    54    55    56    57    58    59    48    49    50    51  
   49    50    51    52    54  
   50    51  
   51  
    0  
   53    54    55    56    57  
   54  
   55    56    57    58    59    60    64  
   56    57    58    59  
   57    58    59  
   58    59    60    61    62    63    64    65    66    67  
   59    60    64  
   60    61    62    63    64    65    66    67    68    69    70  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67    68    69    70    71    72  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    77  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77    78    79    80  
   72    73    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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  -0.316400   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   0.444900   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   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   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
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    52   317.000  1.522
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   250.000  1.523
   40    41   570.000  1.229
   40    46   320.000  1.462
   46    47   549.000  1.340
   46    48   317.000  1.510
   47    52   320.000  1.462
   47    54   317.000  1.510
   52    53   570.000  1.229
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   317.000  1.510
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   317.000  1.510
   59    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.510
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   317.000  1.510
   72    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    52    75.00000  110.18000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.45000
   33    52    47    65.00000  118.62400
   33    52    53    80.00000  120.40000
   33    39    42    60.00000  109.50000
   37    40    41    80.00000  119.30300
   37    40    46    65.00000  116.00000
   40    37    38    80.00000  119.30300
   40    46    47    65.00000  118.96000
   40    46    48    65.00000  116.34900
   46    40    41    80.00000  123.72100
   46    47    52    65.00000  118.96000
   46    47    54    70.00000  124.00000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    51    35.00000  109.50000
   47    52    53    80.00000  123.72100
   47    54    55    35.00000  109.50000
   47    54    56    35.00000  109.50000
   47    54    57    70.00000  110.12100
   52    33    37    75.00000  107.99600
   54    47    52    65.00000  116.34900
   54    57    58    35.00000  117.00000
   54    57    59    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    59    60    70.00000  124.00000
   57    59    64    70.00000  124.00000
   59    57    58    35.00000  120.00000
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    63    35.00000  109.50000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    70.00000  112.02700
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    59    60    65.00000  117.92700
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  112.02700
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    35.00000  117.00000
   67    70    72    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    70.00000  124.00000
   70    72    77    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   48    46    47    70.00000  124.00000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    52    90.00000  108.74100
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    52    47   0.65300  1.0 1.0
   29    33    52    47  -0.03850 -1.0 2.0
   29    33    52    47   0.33900  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   0.49600 -1.0 2.0
   33    37    40    46   0.43900  1.0 1.0
   33    37    40    46  -0.18150 -1.0 2.0
   33    37    40    46  -0.03650  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    52    47   0.65300  1.0 1.0
   37    33    52    47  -0.03850 -1.0 2.0
   37    33    52    47   0.33900  1.0 3.0
   37    33    52    53   0.30150 -1.0 2.0
   37    33    39    42  -1.11000  1.0 1.0
   37    33    39    42   0.50250 -1.0 2.0
   37    33    39    42   0.47450  1.0 3.0
   37    40   -46    47   0.50400  1.0 1.0
   37    40   -46    47   1.60000 -1.0 2.0
   37    40   -46    47  -0.01800  1.0 3.0
   37    40    46    48   1.50000 -1.0 2.0
   38    37    40    41   0.06100 -1.0 2.0
   38    37    40    46   0.03000  1.0 1.0
   38    37    40    46   0.58800 -1.0 2.0
   38    37    40    46   0.15550  1.0 3.0
   40    46    47    52   7.00000 -1.0 2.0
   40    46    47    54   7.00000 -1.0 2.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    50   0.15000  1.0 3.0
   40    46    48    51   0.15000  1.0 3.0
   41    40    46    47   1.00000 -1.0 2.0
   41    40    46    48  -0.64400  1.0 1.0
   41    40    46    48   0.26850 -1.0 2.0
   46    47   -52    33  -0.33500  1.0 1.0
   46    47   -52    33   1.06600 -1.0 2.0
   46    47   -52    33  -0.14000  1.0 3.0
   46    47    52    53   1.00000 -1.0 2.0
   46    47    54    55   0.00000  1.0 1.0
   46    47    54    56   0.00000  1.0 1.0
   46    47    54    57  -0.28300  1.0 1.0
   46    47    54    57   0.26700 -1.0 2.0
   46    47    54    57  -0.63300  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    51   0.00000  1.0 1.0
   47    54    57    58   0.00000  1.0 1.0
   47    54    57    59  -0.28300  1.0 1.0
   47    54    57    59   0.26700 -1.0 2.0
   47    54    57    59  -0.63300  1.0 3.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33   -37    40   0.65300  1.0 1.0
   52    33   -37    40  -0.03850 -1.0 2.0
   52    33   -37    40   0.33900  1.0 3.0
   52    33    39    42  -1.11000  1.0 1.0
   52    33    39    42   0.50250 -1.0 2.0
   52    33    39    42   0.47450  1.0 3.0
   52    47    54    55   0.15000  1.0 3.0
   52    47    54    56   0.15000  1.0 3.0
   52    47    54    57   0.09700  1.0 1.0
   52    47    54    57   0.15600 -1.0 2.0
   52    47    54    57  -0.50800  1.0 3.0
   54    47    52    33   0.25700  1.0 1.0
   54    47    52    33   0.66200 -1.0 2.0
   54    47    52    33   0.04450  1.0 3.0
   54    47    52    53  -0.64400  1.0 1.0
   54    47    52    53   0.26850 -1.0 2.0
   54    57    59    60   7.00000 -1.0 2.0
   54    57    59    64   7.00000 -1.0 2.0
   55    54    57    58   0.33100  1.0 3.0
   55    54    57    59   0.00000  1.0 1.0
   56    54    57    58   0.33100  1.0 3.0
   56    54    57    59   0.00000  1.0 1.0
   57    59    60    61   0.00000  1.0 1.0
   57    59    60    62   0.00000  1.0 1.0
   57    59    60    63   0.00000  1.0 1.0
   57    59    64    65   0.00000  1.0 1.0
   57    59    64    66   0.00000  1.0 1.0
   57    59    64    67   0.09850  1.0 1.0
   57    59    64    67   0.15250 -1.0 2.0
   57    59    64    67  -0.50650  1.0 3.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    64   7.00000 -1.0 2.0
   59    64    67    68   0.15000  1.0 3.0
   59    64    67    69   0.15000  1.0 3.0
   59    64    67    70   0.31000  1.0 1.0
   59    64    67    70   0.14700 -1.0 2.0
   59    64    67    70   0.07550  1.0 3.0
   60    59    64    65   0.34800  1.0 3.0
   60    59    64    66   0.34800  1.0 3.0
   60    59    64    67   0.46850  1.0 1.0
   60    59    64    67   0.08550 -1.0 2.0
   60    59    64    67   0.09800  1.0 3.0
   64    59    60    61   0.34800  1.0 3.0
   64    59    60    62   0.34800  1.0 3.0
   64    59    60    63   0.34800  1.0 3.0
   64    67    70    71   0.00000  1.0 1.0
   64    67    70    72   0.09850  1.0 1.0
   64    67    70    72   0.15250 -1.0 2.0
   64    67    70    72  -0.50650  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    72    73   7.00000 -1.0 2.0
   67    70    72    77   7.00000 -1.0 2.0
   68    67    70    71   0.33100  1.0 3.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.33100  1.0 3.0
   69    67    70    72   0.00000  1.0 1.0
   70    72    73    74   0.00000  1.0 1.0
   70    72    73    75   0.00000  1.0 1.0
   70    72    73    76   0.00000  1.0 1.0
   70    72    77    78   0.00000  1.0 1.0
   70    72    77    79   0.00000  1.0 1.0
   70    72    77    80   0.00000  1.0 1.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    77   7.00000 -1.0 2.0
   73    72    77    78   0.34800  1.0 3.0
   73    72    77    79   0.34800  1.0 3.0
   73    72    77    80   0.34800  1.0 3.0
   77    72    73    74   0.34800  1.0 3.0
   77    72    73    75   0.34800  1.0 3.0
   77    72    73    76   0.34800  1.0 3.0
   48    46    47    52   7.00000 -1.0 2.0
   48    46    47    54   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    52    47   0.65300  1.0 1.0
   39    33    52    47  -0.03850 -1.0 2.0
   39    33    52    47   0.33900  1.0 3.0
   39    33    52    53   0.30150 -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    40    37    38  10.50000 -1.0 2.0
   37    46    40    41  10.50000 -1.0 2.0
   40    48    46    47   1.10000 -1.0 2.0
   52    54    47    46   1.10000 -1.0 2.0
   33    47    52    53  10.50000 -1.0 2.0
   54    58    57    59  15.00000 -1.0 2.0
   60    64    59    57  15.00000 -1.0 2.0
   67    71    70    72  15.00000 -1.0 2.0
   73    77    72    70  15.00000 -1.0 2.0
END
