* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57    100    153     295
    1     0 S   NP   _N1_     1    28.38724    96.23526   -20.28983
    2     1 S   H    _HN1     2     1.02850    75.09022   -31.00209
    3     1 S   H    _H1_     3     1.02941    42.77878   107.02588
    4     1 S   H    _H2_     4     1.02781    92.52926  -139.24171
    5     1 S   CT   _CA1     5     1.50529   149.76351    75.65954
    6     5 S   HC   _HA1     6     1.09689   104.61461    85.19279
    7     5 S   CO3  _C1_     7     1.54470   110.68894   -30.80070
    8     7 S   O2Z  _O11     8     1.26037   116.67773  -113.30272
    9     7 S   O2Z  _O12     9     1.26595   113.73182    64.77691
   10     5 S   CT   _CB1    10     1.53136   106.97642  -158.76224
   11    10 S   HC   HB11    11     1.09831   110.10532   -42.50671
   12    10 S   HC   HB12    12     1.09760   110.27354    74.27544
   13    10 S   CT   _CG1    13     1.52951   112.02508  -162.94221
   14    13 S   HC   HG11    14     1.09444   110.59535   -57.33539
   15    13 S   HC   HG12    15     1.09654   109.66534    61.52199
   16    13 S   C    _CD1    16     1.51814   112.48784  -177.78477
   17    16 S   O    _OE1    17     1.22791   123.29355     4.67780
   18    16 S   N    _N2_    18     1.38514   111.81959  -175.97771
   19    18 S   H    _HN2    19     1.02039   118.89250     4.59875
   20    18 S   CT1  _CA2    20     1.45719   122.94484  -178.34708
   21    20 S   HC   _HA2    21     1.09755   108.42104    28.50733
   22    20 S   C    _C2_    22     1.52945   107.64575   -88.64402
   23    22 S   O    _O2_    23     1.22928   123.05209   -27.50138
   24    20 S   CT   _CB2    32     1.53282   112.36262   151.06204
   25    24 S   HC   HB21    33     1.09515   110.33848    60.42735
   26    24 S   HC   HB22    34     1.09547   110.30858   178.12633
   27    22 S   N    _N3_    24     1.38669   112.32255   155.10239
   28    27 S   H    _HN3    25     1.01500   119.66925     1.25086
   29    24 S   S    _SG2    35     1.82846   111.04859   -62.96971
   30    27 S   CT   _CA3    26     1.45464   122.97799   176.09756
   31    30 S   HC   HA31    27     1.09529   109.11955    27.27907
   32    30 S   HC   HA32    28     1.09486   107.15221   144.37731
   33    29 S   CT   _C9_    36     1.84194   100.06211   125.19940
   34    33 S   HC   _H3_    37     1.09243   110.46435   -23.30438
   35    30 S   CO3  _C3_    29     1.53001   113.33777   -95.97928
   36    35 S   O2Z  _O31    30     1.26392   115.61763   -37.46481
   37    35 S   O2Z  _O32    31     1.26384   114.85202   143.48993
   38    33 S   CM   _C4_    38     1.50178   107.39591    93.80058
   39    38 S   HC   _H5_    39     1.09134   114.86757   -67.74703
   40    38 S   CMA  _C5_    40     1.34820   127.61113   112.57186
   41    40 S   OM   _O36    41     1.26233   129.19217  -179.61083
   42    40 S   CO4  _C6_    42     1.51621   115.16955     0.13417
   43    42 S   O    _O33    43     1.23131   122.77159  -173.51672
   44    42 S   CM   _C7_    44     1.48344   119.10581     7.84160
   45    44 S   HC   _H6_    45     1.08507   116.16754   171.93584
   46    33 S   CM   _C8_    46     1.50605   109.32671  -142.62596
   47    46 S   CT   _C10    47     1.52073   118.81038    69.80051
   48    47 S   HC   _H7_    48     1.09986   108.01530  -148.99077
   49    47 S   HC   _H8_    49     1.09509   110.26757   -35.04556
   50    47 S   CT1  _C11    50     1.53528   113.34377    90.12756
   51    50 S   HC   _H4_    51     1.09733   109.50921    49.88131
   52    50 S   CO3  _C12    52     1.54440   115.83075   -73.97020
   53    52 S   O2Z  _O35    53     1.26347   116.47139   -33.91950
   54    52 S   O2Z  _O34    54     1.26602   114.42933   146.48316
   55    50 S   NT   _N4_    55     1.47147   109.45915   168.30179
   56    55 S   H    _H9_    56     1.01899   109.83232   -57.05177
   57    55 S   H    _H10    57     1.01992   109.28194  -173.29674
  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   8   5   4   3
  13   6   2   1   1   8   4   6   3   5   3   6   2   7  10   5
   4   7   6   5   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    48    49    50  
   38    39    40    44    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47  
   44    45    46  
   45    46    47    48    49    50  
   46    47  
   47    48    49    50    51    52    55  
   48    49    50    51    52    53    54    55    56    57  
   49    50    51    52    55  
   50    51    52    55  
   51    52    53    54    55    56    57  
   52    53    54    55    56    57  
   53    54    55    56    57  
   54    55  
   55  
   56    57  
   57  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.063900   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.700000   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   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   56   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   57   0.5000   0.0300   0.360000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    46   317.000  1.510
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.476
   42    43   570.000  1.229
   42    44   320.000  1.462
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    55   305.000  1.457
   52    53   656.000  1.250
   52    54   656.000  1.250
   55    56   434.000  1.010
   55    57   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    70.00000  124.00000
   33    46    47    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  114.61000
   40    38    39    40.00000  120.50800
   40    42    43    80.00000  120.81000
   40    42    44    65.00000  118.65900
   42    40    41    85.00000  116.28000
   42    44    45    40.00000  117.72500
   42    44    46    65.00000  118.96000
   44    42    43    80.00000  123.72100
   44    46    47    70.00000  124.00000
   46    33    34    35.00000  109.50000
   46    33    38    70.00000  110.12100
   46    44    45    35.00000  120.00000
   46    47    48    35.00000  109.50000
   46    47    49    35.00000  109.50000
   46    47    50    70.00000  112.02700
   47    50    51    37.50000  110.70000
   47    50    52    63.00000  111.10000
   47    50    55    80.00000  111.22000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    70.00000  117.00000
   50    52    54    70.00000  117.00000
   50    55    56    50.00000  111.55300
   50    55    57    50.00000  111.55300
   52    50    51    35.00000  109.50000
   54    52    53    80.00000  126.00000
   55    50    51    50.00000  109.55000
   55    50    52    75.00000  111.54000
   57    55    56    43.60000  106.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    44   0.42700  1.0 1.0
   29    33    46    44  -0.70350 -1.0 2.0
   29    33    46    44  -0.43150  1.0 3.0
   29    33    46    47   0.30250  1.0 1.0
   29    33    46    47  -0.14950 -1.0 2.0
   29    33    46    47   0.36900  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    47    48   0.34800  1.0 3.0
   33    46    47    49   0.34800  1.0 3.0
   33    46    47    50   0.46850  1.0 1.0
   33    46    47    50   0.08550 -1.0 2.0
   33    46    47    50   0.09800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.00000  1.0 1.0
   34    33    46    47   0.34800  1.0 3.0
   38    33    46    44  -0.28300  1.0 1.0
   38    33    46    44   0.26700 -1.0 2.0
   38    33    46    44  -0.63300  1.0 3.0
   38    33    46    47   0.09700  1.0 1.0
   38    33    46    47   0.15600 -1.0 2.0
   38    33    46    47  -0.50800  1.0 3.0
   38    40    42    43   1.00000 -1.0 2.0
   38    40   -42    44  -1.18350  1.0 1.0
   38    40   -42    44   1.45950 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   0.93700 -1.0 2.0
   40    42    44    46  -1.18350  1.0 1.0
   40    42    44    46   1.45950 -1.0 2.0
   41    40    42    43  -0.11900  1.0 1.0
   41    40    42    43   0.76850 -1.0 2.0
   41    40    42    43   0.14100  1.0 3.0
   41    40    42    44   1.50000 -1.0 2.0
   42    44   -46    33   7.00000 -1.0 2.0
   42    44    46    47   7.00000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   1.00000 -1.0 2.0
   44    46    47    48   0.00000  1.0 1.0
   44    46    47    49   0.00000  1.0 1.0
   44    46    47    50   0.09850  1.0 1.0
   44    46    47    50   0.15250 -1.0 2.0
   44    46    47    50  -0.50650  1.0 3.0
   45    44    46    33   7.00000 -1.0 2.0
   45    44    46    47   7.00000 -1.0 2.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40  -0.28300  1.0 1.0
   46    33   -38    40   0.26700 -1.0 2.0
   46    33   -38    40  -0.63300  1.0 3.0
   46    47    50    51   0.15000  1.0 3.0
   46    47    50    52  -0.98800  1.0 1.0
   46    47    50    52   0.48800 -1.0 2.0
   46    47    50    52   0.76800  1.0 3.0
   46    47    50    55   0.59950  1.0 1.0
   46    47    50    55  -0.21400 -1.0 2.0
   46    47    50    55   0.56200  1.0 3.0
   47    50    52    53   0.00000  1.0 1.0
   47    50    52    54   0.00000  1.0 1.0
   47    50    55    56  -0.05950  1.0 1.0
   47    50    55    56   0.08850 -1.0 2.0
   47    50    55    56   0.11750  1.0 3.0
   47    50    55    57  -0.05950  1.0 1.0
   47    50    55    57   0.08850 -1.0 2.0
   47    50    55    57   0.11750  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52  -0.03800  1.0 3.0
   48    47    50    55   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52  -0.03800  1.0 3.0
   49    47    50    55   0.15000  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    55    56   0.20000  1.0 3.0
   51    50    55    57   0.20000  1.0 3.0
   52    50    55    56   0.21900  1.0 1.0
   52    50    55    56  -0.24900 -1.0 2.0
   52    50    55    56   0.15200  1.0 3.0
   52    50    55    57   0.21900  1.0 1.0
   52    50    55    57  -0.24900 -1.0 2.0
   52    50    55    57   0.15200  1.0 3.0
   55    50    52    53   0.30150 -1.0 2.0
   55    50    52    54   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    44    42    43  10.50000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   33    47    46    44   1.10000 -1.0 2.0
   53    50    52    54  10.50000 -1.0 2.0
END
