* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    110    165     322
    1     0 S   NP   _N1_     1    29.04992    94.39832   -23.61358
    2     1 S   H    _HN1     2     1.02847    90.33266   -20.83768
    3     1 S   H    _H1_     3     1.02985    24.31675   114.16495
    4     1 S   H    _H2_     4     1.02824    97.61748  -129.25359
    5     1 S   CT   _CA1     5     1.50410   133.72652   100.06532
    6     5 S   HC   _HA1     6     1.09665   104.71946    69.69900
    7     5 S   CO3  _C1_     7     1.54659   111.14730   -46.59672
    8     7 S   O2Z  _O11     8     1.26216   116.69535  -121.98492
    9     7 S   O2Z  _O12     9     1.26508   113.81430    57.05250
   10     5 S   CT   _CB1    10     1.53130   107.21248  -173.73343
   11    10 S   HC   HB11    11     1.09821   110.53247   -40.10921
   12    10 S   HC   HB12    12     1.09717   109.64085    76.29066
   13    10 S   CT   _CG1    13     1.53155   112.03978  -160.42158
   14    13 S   HC   HG11    14     1.09544   111.25742   -46.56292
   15    13 S   HC   HG12    15     1.09671   109.40816    72.00660
   16    13 S   C    _CD1    16     1.51749   112.53020  -166.75545
   17    16 S   O    _OE1    17     1.22760   123.18922    11.06459
   18    16 S   N    _N2_    18     1.38522   111.77549  -170.99017
   19    18 S   H    _HN2    19     1.01597   119.06151     3.49788
   20    18 S   CT1  _CA2    20     1.46173   123.44679   179.64282
   21    20 S   HC   _HA2    21     1.09607   109.31129     0.96429
   22    20 S   C    _C2_    22     1.53526   108.77178  -114.24045
   23    22 S   O    _O2_    23     1.23036   122.25880  -149.67806
   24    20 S   CT   _CB2    32     1.53269   111.44972   123.29221
   25    24 S   HC   HB21    33     1.09647   109.75032    59.08507
   26    24 S   HC   HB22    34     1.09555   111.15053   176.68282
   27    22 S   N    _N3_    24     1.38305   113.65119    37.83005
   28    27 S   H    _HN3    25     1.01574   119.57747    -3.43051
   29    24 S   S    _SG2    35     1.82914   114.04589   -60.73949
   30    27 S   CT   _CA3    26     1.45288   123.31565   177.15105
   31    30 S   HC   HA31    27     1.09545   107.51269   -64.99820
   32    30 S   HC   HA32    28     1.09552   108.02075    51.49380
   33    29 S   CT   _C12    36     1.83113    99.62386   -68.39324
   34    33 S   HC   _H3_    37     1.09346   106.94517    74.39107
   35    33 S   HC   _H4_    38     1.09477   109.10680   -42.09051
   36    30 S   CO3  _C3_    29     1.52982   113.94939   173.47084
   37    36 S   O2Z  _O31    30     1.26398   116.00671    -0.96347
   38    36 S   O2Z  _O32    31     1.26411   114.44351   179.10474
   39    33 S   CT   _C13    39     1.53413   112.73580  -164.81538
   40    39 S   HC   _H25    40     1.09865   108.13621  -175.86265
   41    39 S   CO3  _C9_    41     1.54573   115.14140    67.84415
   42    41 S   O2Z  _O13    42     1.26481   115.45503  -158.57158
   43    41 S   O2Z  _O15    43     1.26404   115.77212    23.47945
   44    39 S   OS   _O16    44     1.43689   111.38045   -55.91708
   45    44 S   CT   _C11    45     1.43284   114.88312   -81.24802
   46    45 S   HC   _H22    46     1.09781   110.30399    29.33816
   47    45 S   CM   _C6_    47     1.51035   109.83303   -89.06091
   48    47 S   HC   _H20    48     1.08665   117.50710    40.54130
   49    47 S   CM   _C7_    49     1.34368   122.02377  -141.29590
   50    49 S   CM   _C4_    50     1.44604   120.88203     0.26614
   51    50 S   HC   _H18    51     1.08550   119.07270  -168.20275
   52    49 S   CO3  _C8_    60     1.54240   121.27041  -178.26258
   53    52 S   O2Z  _O33    61     1.26565   115.79305    24.02495
   54    52 S   O2Z  _O14    62     1.26574   115.75304  -156.08742
   55    50 S   CM   _C5_    52     1.34088   121.13919    12.70961
   56    55 S   HC   _H19    53     1.08612   119.48629   177.89197
   57    45 S   CT   _C10    54     1.55162   106.76095   148.85765
   58    57 S   HC   _H21    55     1.09722   110.50930    30.53940
   59    57 S   NP   _N11    56     1.49325   107.43806   -82.45128
   60    59 S   H    _H26    57     1.02922   110.82131    59.44351
   61    59 S   H    _H27    58     1.02884   112.01808   -60.66215
   62    59 S   H    _H28    59     1.03412   111.80614   179.10803
  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
   9   5   4   2   1   1   9   5   4   2   1   9  14   7  11   4
   8   9   4   3   1   1   7   3   5   4   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    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    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    57  
   41    42    43    44    45  
   42    43    44    45  
   43    44  
   44  
   45    46    47    48    49    55    57    58    59  
   46    47    48    49    50    55    56    57    58    59    60    61    62    52  
   47    48    49    55    57    58    59  
   48    49    50    51    55    57    58    59    52    53    54  
   49    50    57    52  
   50    51    55    56    57    52    53    54  
   51    55    56    57    58    59    52    53    54  
   55    56    57    52  
   53    54    55  
   54  
    0  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59    60    61    62  
   59    60    61    62  
   60    61    62  
   61    62  
   62  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.463400   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.025600   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   60   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
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    44   320.000  1.410
   41    42   656.000  1.250
   41    43   656.000  1.250
   44    45   320.000  1.410
   45    46   340.000  1.090
   45    47   317.000  1.510
   45    57   268.000  1.529
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   380.000  1.444
   49    52   230.000  1.545
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    56   340.000  1.080
   55    57   317.000  1.510
   57    58   340.000  1.090
   57    59   367.000  1.471
   59    60   434.000  1.010
   59    61   434.000  1.010
   59    62   434.000  1.010
   52    53   656.000  1.250
   52    54   656.000  1.250
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    70.00000  109.69300
   33    39    44    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    70.00000  117.00000
   39    41    43    70.00000  117.00000
   39    44    45    60.00000  109.50000
   41    39    40    35.00000  109.50000
   43    41    42    80.00000  126.00000
   44    39    40    35.00000  109.50000
   44    39    41    85.00000  109.63000
   44    45    46    35.00000  109.50000
   44    45    47    85.00000  110.90400
   44    45    57    50.00000  109.50000
   45    47    48    35.00000  117.00000
   45    47    49    70.00000  124.00000
   45    57    55    70.00000  112.02700
   45    57    58    37.50000  110.70000
   45    57    59    80.00000  111.20000
   47    45    46    35.00000  109.50000
   47    49    50    70.00000  123.01800
   47    49    52    55.00000  124.75400
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  120.00000
   49    50    55    70.00000  123.01800
   49    52    53    85.00000  113.83300
   49    52    54    85.00000  113.83300
   50    55    56    35.00000  120.00000
   50    55    57    70.00000  124.00000
   55    50    51    35.00000  120.00000
   55    57    58    35.00000  109.50000
   55    57    59    75.00000  110.06800
   57    45    46    37.50000  110.70000
   57    45    47    70.00000  112.02700
   57    55    56    35.00000  117.00000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    35.00000  109.50000
   59    57    58    35.00000  109.50000
   61    59    60    35.00000  109.50000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   52    49    50    55.00000  124.75400
   54    52    53    80.00000  126.00000
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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.41150 -1.0 2.0
   33    39    41    43   0.41150 -1.0 2.0
   33    39    44    45   0.06250  1.0 1.0
   33    39    44    45  -0.01100 -1.0 2.0
   33    39    44    45   0.28050  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    44   0.23400  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    44   0.23400  1.0 3.0
   39    44    45    46   0.37050  1.0 3.0
   39    44    45    47  -0.77900  1.0 1.0
   39    44    45    47  -0.36900 -1.0 2.0
   39    44    45    47   0.40400  1.0 3.0
   39    44    45    57   0.06250  1.0 1.0
   39    44    45    57  -0.01100 -1.0 2.0
   39    44    45    57   0.28050  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    44    45   0.37050  1.0 3.0
   41    39    44    45  -1.11000  1.0 1.0
   41    39    44    45   0.50250 -1.0 2.0
   41    39    44    45   0.47450  1.0 3.0
   44    39    41    42   0.30150 -1.0 2.0
   44    39    41    43   0.30150 -1.0 2.0
   44    45    47    48   0.00000  1.0 1.0
   44    45    47    49   0.39000  1.0 1.0
   44    45    47    49  -0.05800 -1.0 2.0
   44    45    47    49  -0.55150  1.0 3.0
   44    45    57    55   0.61850  1.0 1.0
   44    45    57    55  -0.22750 -1.0 2.0
   44    45    57    55   0.15300  1.0 3.0
   44    45    57    58   0.23400  1.0 3.0
   44    45    57    59   1.69300  1.0 1.0
   44    45    57    59  -0.48450 -1.0 2.0
   45    47    49    50   7.00000 -1.0 2.0
   45    47    49    52   7.00000 -1.0 2.0
   45    57    59    60   0.17350  1.0 3.0
   45    57    59    61   0.17350  1.0 3.0
   45    57    59    62   0.17350  1.0 3.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    57    55   0.15000  1.0 3.0
   46    45    57    58   0.15000  1.0 3.0
   46    45    57    59   0.19200  1.0 3.0
   47    45    57    55   0.31000  1.0 1.0
   47    45    57    55   0.14700 -1.0 2.0
   47    45    57    55   0.07550  1.0 3.0
   47    45    57    58   0.15000  1.0 3.0
   47    45    57    59  -0.47300  1.0 1.0
   47    45    57    59   0.29700 -1.0 2.0
   47    45    57    59   0.83300  1.0 3.0
   47    49    50    51  -0.18600  1.0 3.0
   47    49   -50    55   0.28850  1.0 1.0
   47    49   -50    55   2.61350 -1.0 2.0
   47    49   -50    55   0.78400  1.0 3.0
   47    49    52    53  -0.04000 -1.0 2.0
   47    49    52    53  -0.29050  1.0 3.0
   47    49    52    54  -0.04000 -1.0 2.0
   47    49    52    54  -0.29050  1.0 3.0
   48    47    49    50   7.00000 -1.0 2.0
   48    47    49    52   7.00000 -1.0 2.0
   49    50    55    56   7.00000 -1.0 2.0
   49    50    55    57   7.00000 -1.0 2.0
   50    49    52    53  -0.04000 -1.0 2.0
   50    49    52    53  -0.29050  1.0 3.0
   50    49    52    54  -0.04000 -1.0 2.0
   50    49    52    54  -0.29050  1.0 3.0
   50    55   -57    45   0.09850  1.0 1.0
   50    55   -57    45   0.15250 -1.0 2.0
   50    55   -57    45  -0.50650  1.0 3.0
   50    55    57    58   0.00000  1.0 1.0
   50    55    57    59   0.80850  1.0 1.0
   50    55    57    59  -0.47300 -1.0 2.0
   50    55    57    59  -0.52300  1.0 3.0
   51    50    55    56   7.00000 -1.0 2.0
   51    50    55    57   7.00000 -1.0 2.0
   55    57    59    60   0.17350  1.0 3.0
   55    57    59    61   0.17350  1.0 3.0
   55    57    59    62   0.17350  1.0 3.0
   56    55    57    45   0.00000  1.0 1.0
   56    55    57    58   0.33100  1.0 3.0
   56    55    57    59   0.00000  1.0 1.0
   57    45    47    48   0.00000  1.0 1.0
   57    45   -47    49   0.09850  1.0 1.0
   57    45   -47    49   0.15250 -1.0 2.0
   57    45   -47    49  -0.50650  1.0 3.0
   58    57    59    60   0.13050  1.0 3.0
   58    57    59    61   0.13050  1.0 3.0
   58    57    59    62   0.13050  1.0 3.0
   52    49    50    51   0.00000  1.0 1.0
   52    49    50    55  -0.18600  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
   42    39    41    43  10.50000 -1.0 2.0
   45    48    47    49   1.10000 -1.0 2.0
   50    52    49    47   1.10000 -1.0 2.0
   49    51    50    55   1.10000 -1.0 2.0
   57    56    55    50   1.10000 -1.0 2.0
   53    49    52    54  10.50000 -1.0 2.0
END
