* LIGAND DATABASE FILE (OPLS2005)
*
001      71    75    143    228     404
    1     0 S   NP   _N1_     1    28.82895    93.15964   -19.58677
    2     1 S   H    _HN1     2     1.02768    86.70937   -56.64739
    3     1 S   H    _H1_     3     1.03067   106.30512    51.34166
    4     1 S   H    _H2_     4     1.02829    23.17395   146.80937
    5     1 S   CT   _CA1     5     1.50172   129.67399  -172.99977
    6     5 S   HC   _HA1     6     1.09565   105.37326    44.75821
    7     5 S   CO3  _C1_     7     1.53790   112.24431   -75.60393
    8     7 S   O2Z  _O11     8     1.26345   115.06362   -47.31091
    9     7 S   O2Z  _O12     9     1.26237   114.87581   131.97595
   10     5 S   CT   _CB1    10     1.53007   107.21786   162.63127
   11    10 S   HC   HB11    11     1.09797   109.32783   -52.00870
   12    10 S   HC   HB12    12     1.09640   109.93090    64.36911
   13    10 S   CT   _CG1    13     1.53001   113.20134  -173.94916
   14    13 S   HC   HG11    14     1.09557   110.08619   -60.83992
   15    13 S   HC   HG12    15     1.09592   110.44002    58.23654
   16    13 S   C    _CD1    16     1.51915   111.52765   177.87994
   17    16 S   O    _OE1    17     1.22780   122.79144   -28.64285
   18    16 S   N    _N2_    18     1.38441   112.32181   152.76433
   19    18 S   H    _HN2    19     1.01585   119.14271     1.65694
   20    18 S   CT1  _CA2    20     1.46243   123.49730  -178.89997
   21    20 S   HC   _HA2    21     1.09642   109.35444   -10.24019
   22    20 S   C    _C2_    22     1.53396   108.29322  -125.62636
   23    22 S   O    _O2_    23     1.23008   122.29479  -144.93757
   24    20 S   CT   _CB2    32     1.53357   111.22786   112.09391
   25    24 S   HC   HB21    33     1.09643   109.75538    52.78955
   26    24 S   HC   HB22    34     1.09521   111.53961   170.68569
   27    22 S   N    _N3_    24     1.38523   113.34463    42.60519
   28    27 S   H    _HN3    25     1.01512   118.98706    -0.69774
   29    24 S   S    _SG2    35     1.82883   113.25060   -66.80258
   30    27 S   CT   _CA3    26     1.45435   123.27792   174.58485
   31    30 S   HC   HA31    27     1.09535   109.00985    28.48089
   32    30 S   HC   HA32    28     1.09486   107.16930   145.50136
   33    29 S   CT   _C18    36     1.82735    99.41558   -81.69092
   34    33 S   HC   _H3_    37     1.09656   106.80674   -56.44094
   35    33 S   HC   _H4_    38     1.09358   108.96628    58.25593
   36    30 S   CO3  _C3_    29     1.52968   113.33848   -94.78784
   37    36 S   O2Z  _O31    30     1.26387   115.55513   -40.00599
   38    36 S   O2Z  _O32    31     1.26377   114.87372   140.92658
   39    33 S   CT   _C11    39     1.53827   115.70698  -177.32548
   40    39 S   HC   _H28    40     1.09819   107.72383  -179.08293
   41    39 S   CO4  _C7_    41     1.50256   109.56080    64.58398
   42    41 S   O    _O17    42     1.22171   125.44663    66.97302
   43    41 S   OS   _O19    43     1.35854   110.21098  -110.79378
   44    43 S   CT   _C13    44     1.44956   111.97189    -4.73838
   45    44 S   HC   _H30    45     1.09337   106.41387   107.22910
   46    44 S   CT   _C8_    46     1.54332   104.06664  -136.55275
   47    46 S   HC   _H24    47     1.09951   107.75632   -53.92964
   48    46 S   HC   _H25    48     1.09868   109.00095    58.21982
   49    39 S   CT   _C12    61     1.54396   121.34898   -54.82996
   50    49 S   HC   _H29    62     1.10108   105.24088  -151.40275
   51    46 S   C3T  _C16    49     1.50483   116.64571  -176.81715
   52    51 S   C3T  _C15    50     1.53694   119.22401    61.29935
   53    52 S   HC   _H32    51     1.08730   116.93626    -2.30512
   54    51 S   CT   _C17    68     1.50298   115.85724  -105.11973
   55    54 S   HC   _H33    69     1.09386   112.46333   170.55236
   56    54 S   HC   _H34    70     1.09289   111.06335    48.96537
   57    54 S   HC   _H35    71     1.09570   109.94471   -69.67701
   58    52 S   C3T  _C14    52     1.52816   121.89142  -152.29989
   59    58 S   HC   _H31    53     1.08525   116.40814   -82.31747
   60    51 S   O3T  _O21    67     1.44428   114.48841   125.78937
   61    58 S   C3T  _C10    54     1.53424   121.59014    70.75608
   62    61 S   HC   _H27    55     1.08464   117.12018  -153.72659
   63    61 S   CM   _C5_    56     1.46099   114.83263   -15.11332
   64    58 S   O3T  _O20    66     1.43714   114.71525   136.48355
   65    63 S   CM   _C4_    57     1.33373   128.15500    64.63910
   66    65 S   HC   _H23    58     1.08138   123.78505     7.99326
   67    65 S   CT   _C9_    59     1.47242   112.69976  -163.98212
   68    67 S   HC   _H26    60     1.09031   109.67684  -117.91218
   69    67 S   OS   _O18    63     1.43975   102.69955    -6.13379
   70    63 S   CO4  _C6_    64     1.47344   125.96156  -103.96694
   71    70 S   O    _O16    65     1.21907   125.13831   -12.21057
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  14   6   5
   9   4  11  12   6   5   3   2   1   8   5   2   9   4   8   2
   6   4   4   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    67    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    67    68    49    50    69  
   41    42    43    44    67    49    50  
   42    43    44    45    46    67    49    50  
   43    44    49  
   44    45    46    47    48    51    67    49    50  
   45    46    47    48    51    52    65    67    68    49    50    69    60    54  
   46    47    48    51    67    49    50  
   47    48    51    52    53    58    67    49    50    60    54    55    56    57  
   48    51    52    49    60    54  
   51    52    49    60    54  
   50    69    70    51    63    65    66    67    68  
   69    65    67    68  
   52    53    58    59    61    64    60    54    55    56    57  
   53    58    59    61    62    63    64    60    54    55    56    57  
   58    59    61    64    60    54  
   55    56    57    58    60  
   56    57    60  
   57    60  
   60  
   59    61    62    63    65    70    64    60  
   61    62    63    64    60  
   61    64  
   62    63    65    66    67    69    70    71    64  
   63    65    70    64  
   65    66    67    68    69    70    71    64  
   65    70  
   66    67    68    69    70    71  
   67    68    69    70  
   68    69    70    71  
   69    70  
   70    71  
   71  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   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   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   275.000  1.510
   51    52   260.000  1.509
   51    60   335.000  1.432
   51    54   275.000  1.510
   52    53   340.000  1.088
   52    58   260.000  1.509
   52    60   335.000  1.432
   58    59   340.000  1.088
   58    61   260.000  1.509
   58    64   335.000  1.432
   61    62   340.000  1.088
   61    63   305.000  1.480
   61    64   335.000  1.432
   63    65   549.000  1.340
   63    70   320.000  1.462
   65    66   340.000  1.080
   65    67   317.000  1.510
   67    68   340.000  1.090
   67    49   268.000  1.529
   67    69   320.000  1.410
   49    50   340.000  1.090
   69    70   214.000  1.327
   70    71   570.000  1.229
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    67    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    70.00000  112.37300
   44    49    67    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    60.00000  120.94000
   46    51    60    80.00000  116.47100
   46    51    54    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    45.00000  109.38400
   51    46    48    45.00000  109.38400
   51    52    53    37.50000  117.20000
   51    52    58    60.00000  120.94000
   51    52    60    15.00000   60.43100
   51    60    52    15.00000   59.14900
   51    54    55    45.00000  109.38400
   51    54    56    45.00000  109.38400
   51    54    57    45.00000  109.38400
   52    58    59    37.50000  117.20000
   52    58    61    60.00000  120.94000
   52    58    64    80.00000  116.47100
   58    52    53    37.50000  117.20000
   58    61    62    37.50000  117.20000
   58    61    63    60.00000  120.58800
   58    61    64    15.00000   60.43100
   58    64    61    15.00000   59.14900
   61    58    59    37.50000  117.20000
   61    63    65    55.00000  125.06700
   61    63    70    65.00000  114.68000
   63    61    62    40.00000  112.45000
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  124.00000
   63    70    69    90.00000  111.29400
   63    70    71    80.00000  123.72100
   65    67    68    35.00000  109.50000
   65    67    49    70.00000  112.02700
   65    67    69    85.00000  110.90400
   67    65    66    35.00000  117.00000
   67    49    50    37.50000  110.70000
   67    69    70    83.00000  116.90000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    67    68    37.50000  110.70000
   69    67    68    35.00000  109.50000
   69    67    49    50.00000  109.50000
   69    70    71    83.00000  123.40000
   70    63    65    65.00000  118.96000
   64    58    59    50.00000  114.27700
   64    58    61    15.00000   60.43100
   64    61    62    50.00000  114.27700
   64    61    63    85.00000  114.23300
   60    51    52    15.00000   60.43100
   60    52    53    50.00000  114.27700
   60    52    58    80.00000  116.47100
   54    51    52    60.00000  120.94000
   54    51    60    80.00000  116.47100
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    67   0.56750  1.0 1.0
   33    39    49    67  -0.07550 -1.0 2.0
   33    39    49    67   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    67   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    67  -0.95700  1.0 1.0
   41    39    49    67  -0.18200 -1.0 2.0
   41    39    49    67   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51  -0.26800  1.0 1.0
   43    44    46    51   0.69150 -1.0 2.0
   43    44    46    51  -0.48750  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    67   0.62750  1.0 1.0
   43    44    49    67  -0.30950 -1.0 2.0
   43    44    49    67   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.07850  1.0 1.0
   44    46    51    52  -0.03950 -1.0 2.0
   44    46    51    52   0.67350  1.0 3.0
   44    46    51    60   0.02550  1.0 1.0
   44    46    51    60  -0.02600 -1.0 2.0
   44    46    51    60   1.20400  1.0 3.0
   44    46    51    54   0.56750  1.0 1.0
   44    46    51    54  -0.07550 -1.0 2.0
   44    46    51    54   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    67   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    67   0.56750  1.0 1.0
   46    44    49    67  -0.07550 -1.0 2.0
   46    44    49    67   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    53   0.15000  1.0 3.0
   46    51    52    58   0.07850  1.0 1.0
   46    51    52    58  -0.03950 -1.0 2.0
   46    51    52    58   0.67350  1.0 3.0
   46    51   -52    60   0.02550  1.0 1.0
   46    51   -52    60  -0.02600 -1.0 2.0
   46    51   -52    60   1.20400  1.0 3.0
   46    51   -60    52   0.06250  1.0 1.0
   46    51   -60    52  -0.01100 -1.0 2.0
   46    51   -60    52   0.28050  1.0 3.0
   46    51    54    55   0.15000  1.0 3.0
   46    51    54    56   0.15000  1.0 3.0
   46    51    54    57   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    60   0.23400  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    60   0.23400  1.0 3.0
   48    46    51    54   0.15000  1.0 3.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    61   0.07850  1.0 1.0
   51    52    58    61  -0.03950 -1.0 2.0
   51    52    58    61   0.67350  1.0 3.0
   51    52    58    64   0.02550  1.0 1.0
   51    52    58    64  -0.02600 -1.0 2.0
   51    52    58    64   1.20400  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    58    61    62   0.15000  1.0 3.0
   52    58    61    63   0.34400  1.0 1.0
   52    58    61    63   0.09450 -1.0 2.0
   52    58    61    63   0.11100  1.0 3.0
   52    58   -61    64   0.02550  1.0 1.0
   52    58   -61    64  -0.02600 -1.0 2.0
   52    58   -61    64   1.20400  1.0 3.0
   52    58   -64    61   0.06250  1.0 1.0
   52    58   -64    61  -0.01100 -1.0 2.0
   52    58   -64    61   0.28050  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   53    52    58    64   0.23400  1.0 3.0
   53    52   -60    51   0.36800  1.0 3.0
   58    52   -60    51   0.06250  1.0 1.0
   58    52   -60    51  -0.01100 -1.0 2.0
   58    52   -60    51   0.28050  1.0 3.0
   58    61    63    65   0.09850  1.0 1.0
   58    61    63    65   0.15250 -1.0 2.0
   58    61    63    65  -0.50650  1.0 3.0
   58    61    63    70   0.09700  1.0 1.0
   58    61    63    70   0.15600 -1.0 2.0
   58    61    63    70  -0.50800  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58   -61    64   0.23400  1.0 3.0
   59    58   -64    61   0.36800  1.0 3.0
   61    63    65    66   7.00000 -1.0 2.0
   61    63    65    67   7.00000 -1.0 2.0
   61    63    70    69  -0.15000  1.0 1.0
   61    63    70    69   0.89550 -1.0 2.0
   61    63    70    69  -0.06900  1.0 3.0
   61    63    70    71  -0.64400  1.0 1.0
   61    63    70    71   0.26850 -1.0 2.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    70   0.15000  1.0 3.0
   62    61   -64    58   0.36800  1.0 3.0
   63    61   -64    58  -0.77900  1.0 1.0
   63    61   -64    58  -0.36900 -1.0 2.0
   63    61   -64    58   0.40400  1.0 3.0
   63    65    67    68   0.00000  1.0 1.0
   63    65    67    49   0.09850  1.0 1.0
   63    65    67    49   0.15250 -1.0 2.0
   63    65    67    49  -0.50650  1.0 3.0
   63    65   -67    69   0.39000  1.0 1.0
   63    65   -67    69  -0.05800 -1.0 2.0
   63    65   -67    69  -0.55150  1.0 3.0
   65    63   -70    69  -0.56150  1.0 1.0
   65    63   -70    69   2.19150 -1.0 2.0
   65    63    70    71   1.00000 -1.0 2.0
   65    67    49    39   0.34400  1.0 1.0
   65    67    49    39   0.09450 -1.0 2.0
   65    67    49    39   0.11100  1.0 3.0
   65    67    49    44   0.34400  1.0 1.0
   65    67    49    44   0.09450 -1.0 2.0
   65    67    49    44   0.11100  1.0 3.0
   65    67    49    50   0.15000  1.0 3.0
   65    67   -69    70  -0.82050  1.0 1.0
   65    67   -69    70   0.00600 -1.0 2.0
   65    67   -69    70   0.04400  1.0 3.0
   66    65    67    68   0.33100  1.0 3.0
   66    65    67    49   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   67    69   -70    63   2.00000 -1.0 2.0
   67    69    70    71   3.00000 -1.0 2.0
   68    67    49    39   0.15000  1.0 3.0
   68    67    49    44   0.15000  1.0 3.0
   68    67    49    50   0.15000  1.0 3.0
   68    67    69    70   0.08050  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.47050  1.0 1.0
   49    44    46    51   0.03900 -1.0 2.0
   49    44    46    51   0.20100  1.0 3.0
   49    67    69    70  -0.25900  1.0 1.0
   49    67    69    70  -0.47000 -1.0 2.0
   49    67    69    70   0.11750  1.0 3.0
   69    67    49    39   0.62750  1.0 1.0
   69    67    49    39  -0.30950 -1.0 2.0
   69    67    49    39   0.27300  1.0 3.0
   69    67    49    44   0.62750  1.0 1.0
   69    67    49    44  -0.30950 -1.0 2.0
   69    67    49    44   0.27300  1.0 3.0
   69    67    49    50   0.23400  1.0 3.0
   70    63    65    66   7.00000 -1.0 2.0
   70    63   -65    67   7.00000 -1.0 2.0
   64    58   -61    62   0.23400  1.0 3.0
   64    58   -61    63   0.61850  1.0 1.0
   64    58   -61    63  -0.22750 -1.0 2.0
   64    58   -61    63   0.15300  1.0 3.0
   64    61    63    65   0.39000  1.0 1.0
   64    61    63    65  -0.05800 -1.0 2.0
   64    61    63    65  -0.55150  1.0 3.0
   64    61    63    70   0.09700  1.0 1.0
   64    61    63    70   0.15600 -1.0 2.0
   64    61    63    70  -0.50800  1.0 3.0
   60    51   -52    53   0.23400  1.0 3.0
   60    51   -52    58   0.02550  1.0 1.0
   60    51   -52    58  -0.02600 -1.0 2.0
   60    51   -52    58   1.20400  1.0 3.0
   60    51    54    55   0.23400  1.0 3.0
   60    51    54    56   0.23400  1.0 3.0
   60    51    54    57   0.23400  1.0 3.0
   60    52    58    59   0.23400  1.0 3.0
   60    52    58    61   0.02550  1.0 1.0
   60    52    58    61  -0.02600 -1.0 2.0
   60    52    58    61   1.20400  1.0 3.0
   60    52    58    64   1.11900  1.0 1.0
   60    52    58    64  -1.16350 -1.0 2.0
   60    52    58    64  -0.34150  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.07850  1.0 1.0
   54    51    52    58  -0.03950 -1.0 2.0
   54    51    52    58   0.67350  1.0 3.0
   54    51   -52    60   0.02550  1.0 1.0
   54    51   -52    60  -0.02600 -1.0 2.0
   54    51   -52    60   1.20400  1.0 3.0
   54    51   -60    52   0.06250  1.0 1.0
   54    51   -60    52  -0.01100 -1.0 2.0
   54    51   -60    52   0.28050  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   61    70    63    65   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   63    69    70    71  10.50000 -1.0 2.0
END
