* LIGAND DATABASE FILE (OPLS2005)
*
001      52    51     86    128     253
    1     0 S   NP   _N1_     1    30.41928    91.19696   -20.15416
    2     1 S   H    _HN1     2     1.02906   109.22533   -35.49952
    3     1 S   H    _H1_     3     1.03319   118.62541    86.40065
    4     1 S   H    _H2_     4     1.02694    13.07477    53.01095
    5     1 S   CT   _CA1     5     1.50153   100.03800  -153.10819
    6     5 S   HC   _HA1     6     1.09562   105.22341    59.06371
    7     5 S   CO3  _C1_     7     1.53667   113.21053   -61.33687
    8     7 S   O2Z  _O11     8     1.26317   115.37073   -39.03887
    9     7 S   O2Z  _O12     9     1.26318   114.83950   140.16994
   10     5 S   CT   _CB1    10     1.52690   106.76715   176.95560
   11    10 S   HC   HB11    11     1.09773   109.01009   -50.14782
   12    10 S   HC   HB12    12     1.09788   110.02590    65.92608
   13    10 S   CT   _CG1    13     1.52817   114.06164  -171.13763
   14    13 S   HC   HG11    14     1.09515   111.45749   -68.92106
   15    13 S   HC   HG12    15     1.09557   111.06531    51.25270
   16    13 S   C    _CD1    16     1.51302   108.41374   170.17335
   17    16 S   O    _OE1    17     1.22842   121.75119   -96.35729
   18    16 S   N    _N2_    18     1.38464   112.97362    81.01608
   19    18 S   H    _HN2    19     1.01548   119.15871     8.13113
   20    18 S   CT1  _CA2    20     1.45962   123.13793  -169.22333
   21    20 S   HC   _HA2    21     1.09540   108.33905    19.79366
   22    20 S   C    _C2_    22     1.53834   110.94787   -96.35303
   23    22 S   O    _O2_    23     1.23209   121.85666  -148.68275
   24    20 S   CT   _CB2    32     1.53711   111.70516   140.96637
   25    24 S   HC   HB21    33     1.09719   109.02425    72.69838
   26    24 S   HC   HB22    34     1.09577   110.55271  -171.45399
   27    22 S   N    _N3_    24     1.38195   114.69732    38.72437
   28    27 S   H    _HN3    25     1.01520   119.97823    -1.91418
   29    24 S   S    _SG2    35     1.83207   116.93239   -46.24370
   30    27 S   CT   _CA3    26     1.45345   122.78225   176.97489
   31    30 S   HC   HA31    27     1.09563   107.43508   -64.83648
   32    30 S   HC   HA32    28     1.09569   107.98563    51.49206
   33    29 S   CT   _C7_    36     1.84486   102.32446   -58.34411
   34    33 S   HC   _H3_    37     1.09534   106.09502    63.25527
   35    30 S   CO3  _C3_    29     1.52877   114.43048   173.56188
   36    35 S   O2Z  _O31    30     1.26312   116.16041    -1.35711
   37    35 S   O2Z  _O32    31     1.26459   114.35832   178.71717
   38    33 S   CM   _C4_    38     1.51008   110.60897   -55.63356
   39    38 S   HC   _H4_    39     1.08832   116.50936   -50.66975
   40    33 S   CM   _C8_    46     1.52194   107.72940   178.56183
   41    38 S   CM   _C5_    40     1.34220   124.88040   128.38001
   42    40 S   CMA  _C10    47     1.35434   129.62484    85.04481
   43    42 S   OM   _O38    48     1.25988   133.49922    -1.51930
   44    42 S   HC   _H6_    49     1.09323   112.49652   179.18940
   45    40 S   CO3  _C9_    50     1.54001   115.89613   -95.45261
   46    45 S   O2Z  _O36    51     1.26485   115.37789   -71.07616
   47    45 S   O2Z  _O37    52     1.26643   115.62301   107.90826
   48    41 S   CO3  _C6_    41     1.55017   122.45938  -178.64174
   49    48 S   O2Z  _O34    42     1.26259   116.93474     6.57838
   50    48 S   O2Z  _O33    43     1.26831   113.93144  -174.23911
   51    41 S   OH   _O35    44     1.38318   121.56505     1.35118
   52    51 S   HO   _H5_    45     0.97547   106.11129   177.85789
  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  10   4   7   5   5   2   1   2   1   1   4
   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    48    51    40    42    43    44    45    46    47  
   38    39    41    40    42    45  
   36    37  
   37  
    0  
   39    41    48    49    50    51    52    40    42    45  
   41    48    51    40  
   42    43    44    45    46    47    41  
   48    49    50    51    52  
   43    44    45    46    47  
   44    45  
   45  
   46    47  
   47  
    0  
   49    50    51    52  
   50    51  
   51  
   52  
    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  -0.115000   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  -0.911500   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   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    40   317.000  1.510
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    48   230.000  1.545
   41    51   510.000  1.338
   48    49   656.000  1.250
   48    50   656.000  1.250
   51    52   553.000  0.945
   40    42   465.000  1.376
   40    45   230.000  1.545
   42    43   745.000  1.250
   42    44   335.000  1.111
   45    46   656.000  1.250
   45    47   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    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    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    42    70.00000  124.00000
   33    40    45    65.00000  117.04000
   38    33    34    35.00000  109.50000
   38    41    48    55.00000  124.75400
   38    41    51    80.00000  121.38400
   41    38    39    35.00000  120.00000
   41    48    49    85.00000  113.83300
   41    48    50    85.00000  113.83300
   41    51    52    70.00000  107.45700
   50    48    49    80.00000  126.00000
   51    41    48    80.00000  119.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    42    43    65.00000  137.10300
   40    42    44    45.00000  105.30000
   40    45    46    85.00000  113.83300
   40    45    47    85.00000  113.83300
   44    42    43    50.00000  124.16400
   45    40    42    55.00000  124.75400
   47    45    46    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    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    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    42   0.42700  1.0 1.0
   29    33    40    42  -0.70350 -1.0 2.0
   29    33    40    42  -0.43150  1.0 3.0
   29    33    40    45   0.09700  1.0 1.0
   29    33    40    45   0.15600 -1.0 2.0
   29    33    40    45  -0.50800  1.0 3.0
   33    38    41    48   7.00000 -1.0 2.0
   33    38    41    51   7.00000 -1.0 2.0
   33    40    42    43   7.00000 -1.0 2.0
   33    40    42    44   7.00000 -1.0 2.0
   33    40    45    46  -0.64400  1.0 1.0
   33    40    45    46   0.26850 -1.0 2.0
   33    40    45    47  -0.64400  1.0 1.0
   33    40    45    47   0.26850 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    42   0.00000  1.0 1.0
   34    33    40    45   0.15000  1.0 3.0
   38    33    40    42  -0.28300  1.0 1.0
   38    33    40    42   0.26700 -1.0 2.0
   38    33    40    42  -0.63300  1.0 3.0
   38    33    40    45   0.09700  1.0 1.0
   38    33    40    45   0.15600 -1.0 2.0
   38    33    40    45  -0.50800  1.0 3.0
   38    41    48    49  -0.04000 -1.0 2.0
   38    41    48    49  -0.29050  1.0 3.0
   38    41    48    50  -0.04000 -1.0 2.0
   38    41    48    50  -0.29050  1.0 3.0
   38    41    51    52  -0.66100  1.0 1.0
   38    41    51    52   1.20850 -1.0 2.0
   38    41    51    52  -0.36000  1.0 3.0
   39    38    41    48   7.00000 -1.0 2.0
   39    38    41    51   7.00000 -1.0 2.0
   48    41    51    52   2.00000 -1.0 2.0
   51    41    48    49   1.68800 -1.0 2.0
   51    41    48    50   1.68800 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   42    40    45    46  -0.04000 -1.0 2.0
   42    40    45    46  -0.29050  1.0 3.0
   42    40    45    47  -0.04000 -1.0 2.0
   42    40    45    47  -0.29050  1.0 3.0
   45    40    42    43   7.00000 -1.0 2.0
   45    40    42    44   7.00000 -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    41  15.00000 -1.0 2.0
   48    51    41    38  15.00000 -1.0 2.0
   49    41    48    50  10.50000 -1.0 2.0
   33    45    40    42  15.00000 -1.0 2.0
   43    44    42    40  15.00000 -1.0 2.0
   46    40    45    47  10.50000 -1.0 2.0
END
