* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     95    143     277
    1     0 S   NP   _N1_     1    28.78922    96.23074   -22.76362
    2     1 S   H    _HN1     2     1.02816    37.78911   162.30514
    3     1 S   H    _H1_     3     1.02784   102.56603   -94.53720
    4     1 S   H    _H2_     4     1.02952    73.73542    11.20200
    5     1 S   CT   _CA1     5     1.50144   140.62320   113.64564
    6     5 S   HC   _HA1     6     1.09577   105.15490    88.67119
    7     5 S   CO3  _C1_     7     1.53775   112.50683   -31.43323
    8     7 S   O2Z  _O11     8     1.26372   115.00250   -40.63747
    9     7 S   O2Z  _O12     9     1.26248   114.95380   138.36975
   10     5 S   CT   _CB1    10     1.53056   107.35126  -153.42763
   11    10 S   HC   HB11    11     1.09835   109.22229   -49.96441
   12    10 S   HC   HB12    12     1.09815   110.47658    66.58918
   13    10 S   CT   _CG1    13     1.52994   112.71270  -170.99248
   14    13 S   HC   HG11    14     1.09582   110.59743   -67.61795
   15    13 S   HC   HG12    15     1.09675   109.80761    51.64198
   16    13 S   C    _CD1    16     1.51818   112.18270   171.94290
   17    16 S   O    _OE1    17     1.22683   123.18393     6.25320
   18    16 S   N    _N2_    18     1.38618   111.65533  -173.37487
   19    18 S   H    _HN2    19     1.01550   118.84780     1.32101
   20    18 S   CT1  _CA2    20     1.46319   123.60769   177.28300
   21    20 S   HC   _HA2    21     1.09608   109.30065     5.18433
   22    20 S   C    _C2_    22     1.53585   108.44142  -110.24369
   23    22 S   O    _O2_    23     1.23071   122.36450  -146.37064
   24    20 S   CT   _CB2    32     1.53330   111.24029   127.68059
   25    24 S   HC   HB21    33     1.09644   109.75906    54.89758
   26    24 S   HC   HB22    34     1.09502   111.58150   172.80573
   27    22 S   N    _N3_    24     1.38368   113.75697    40.80715
   28    27 S   H    _HN3    25     1.01572   119.53970    -2.14156
   29    24 S   S    _SG2    35     1.82758   112.58791   -64.22189
   30    27 S   CT   _CA3    26     1.45287   123.22119   177.46843
   31    30 S   HC   HA31    27     1.09547   107.39921   -67.78515
   32    30 S   HC   HA32    28     1.09559   108.11067    48.66267
   33    29 S   CT   _C7_    36     1.82232   100.14670   -83.38175
   34    33 S   HC   _H3_    37     1.09311   107.11617    30.56141
   35    30 S   CO3  _C3_    29     1.52966   114.13958   170.79273
   36    35 S   O2Z  _O31    30     1.26368   116.11336     0.27340
   37    35 S   O2Z  _O32    31     1.26445   114.39571  -179.64337
   38    33 S   CM   _C4_    38     1.48591   111.45876   -85.43749
   39    38 S   HC   _H16    39     1.08285   123.95193    39.18631
   40    38 S   CMA  _C5_    40     1.34333   112.09294  -144.49797
   41    40 S   OM   _O7_    41     1.26217   127.04909  -176.94175
   42    40 S   OS   _O13    42     1.42170   109.60866     1.60120
   43    33 S   CT   _C8_    43     1.54523   120.30148   157.88912
   44    43 S   CT   _C9_    44     1.54624   112.44696   -96.69982
   45    44 S   HC   _H18    45     1.09810   109.81411  -178.94835
   46    44 S   HC   _H19    46     1.09734   110.12526    64.35645
   47    43 S   SY   _S15    50     1.85394   115.33094    26.95385
   48    47 S   OY   _O9_    51     1.46426   103.66618   167.62962
   49    47 S   OY   _O33    52     1.46319   104.68884   -73.04657
   50    47 S   OY   _O34    53     1.46226   105.29149    47.91802
   51    44 S   CO3  _C6_    47     1.53098   115.53843   -58.92008
   52    51 S   O2Z  _O8_    48     1.26366   115.12527    98.89033
   53    51 S   O2Z  _O10    49     1.26282   115.49255   -82.92922
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1   7   4   5   2   9  10   9   5   4   4   2
   1   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    51    47    48    49    50  
   38    39    40    42    43    44    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47  
   40    41    42    43  
   41    42    43    44    47  
   42    43  
   43    44    45    46    51    47    48    49    50  
   44    45    46    51    52    53    47    48    49    50  
   45    46    51    52    53    47    48    49    50  
   46    51    52    53    47  
   51    52    53    47  
   48    49    50    51  
   49    50  
   50  
    0  
   52    53  
   53  
    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   0.218900   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   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.707500   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.154700   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.108600   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.2500   1.453700   2.0025   1.7750   0.025682759  -1.666211680
   48   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   49   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   50   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   51   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   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    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    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   268.000  1.529
   43    47   205.000  1.840
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   317.000  1.522
   51    52   656.000  1.250
   51    53   656.000  1.250
   47    48   735.000  1.471
   47    49   735.000  1.471
   47    50   735.000  1.471
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    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    50.00000  109.50000
   33    43    44    58.35000  112.70000
   33    43    47    75.00000  110.51500
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    80.00000  120.01400
   40    38    39    40.00000  120.50800
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    50.00000  109.50000
   42    43    47    90.00000  115.00000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    51    70.00000  109.69300
   43    47    48   100.00000  108.55000
   43    47    49   100.00000  108.55000
   43    47    50   100.00000  108.55000
   44    51    52    70.00000  117.00000
   44    51    53    70.00000  117.00000
   46    44    45    33.00000  107.80000
   51    44    45    35.00000  109.50000
   51    44    46    35.00000  109.50000
   53    51    52    80.00000  126.00000
   47    43    44    75.00000  110.51500
   49    47    48   115.00000  120.17200
   50    47    48   115.00000  120.17200
   50    47    49   115.00000  120.17200
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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    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    43    42   0.56750  1.0 1.0
   29    33    43    42  -0.07550 -1.0 2.0
   29    33    43    42   0.20000  1.0 3.0
   29    33    43    44   0.44750  1.0 1.0
   29    33    43    44  -0.17800 -1.0 2.0
   29    33    43    44   0.20200  1.0 3.0
   29    33    43    47   0.56750  1.0 1.0
   29    33    43    47  -0.07550 -1.0 2.0
   29    33    43    47   0.20000  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    43    44    45   0.15000  1.0 3.0
   33    43    44    46   0.15000  1.0 3.0
   33    43    44    51  -1.63150  1.0 1.0
   33    43    44    51  -0.43550 -1.0 2.0
   33    43    44    51   0.24500  1.0 3.0
   33    43    47    48  -0.82900  1.0 1.0
   33    43    47    48   0.81700 -1.0 2.0
   33    43    47    48  -0.10400  1.0 3.0
   33    43    47    49  -0.82900  1.0 1.0
   33    43    47    49   0.81700 -1.0 2.0
   33    43    47    49  -0.10400  1.0 3.0
   33    43    47    50  -0.82900  1.0 1.0
   33    43    47    50   0.81700 -1.0 2.0
   33    43    47    50  -0.10400  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    43    42   0.23400  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    47   0.15000  1.0 3.0
   38    33   -43    42   0.61850  1.0 1.0
   38    33   -43    42  -0.22750 -1.0 2.0
   38    33   -43    42   0.15300  1.0 3.0
   38    33    43    44   0.34400  1.0 1.0
   38    33    43    44   0.09450 -1.0 2.0
   38    33    43    44   0.11100  1.0 3.0
   38    33    43    47   0.56750  1.0 1.0
   38    33    43    47  -0.07550 -1.0 2.0
   38    33    43    47   0.20000  1.0 3.0
   38    40   -42    43  -2.26850  1.0 1.0
   38    40   -42    43   3.39050 -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   -43    33  -0.46850  1.0 1.0
   40    42   -43    33   0.09300 -1.0 2.0
   40    42   -43    33  -0.12850  1.0 3.0
   40    42    43    44  -0.46850  1.0 1.0
   40    42    43    44   0.09300 -1.0 2.0
   40    42    43    44  -0.12850  1.0 3.0
   40    42    43    47  -0.48150  1.0 1.0
   40    42    43    47   0.09250 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    44    45   0.23400  1.0 3.0
   42    43    44    46   0.23400  1.0 3.0
   42    43    44    51  -3.35100  1.0 1.0
   42    43    44    51  -0.37050 -1.0 2.0
   42    43    44    51   0.22400  1.0 3.0
   42    43    47    48  -0.67400  1.0 1.0
   42    43    47    48   0.68950 -1.0 2.0
   42    43    47    48  -0.11550  1.0 3.0
   42    43    47    49  -0.67400  1.0 1.0
   42    43    47    49   0.68950 -1.0 2.0
   42    43    47    49  -0.11550  1.0 3.0
   42    43    47    50  -0.67400  1.0 1.0
   42    43    47    50   0.68950 -1.0 2.0
   42    43    47    50  -0.11550  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    44    51    52   0.41150 -1.0 2.0
   43    44    51    53   0.41150 -1.0 2.0
   44    43    47    48  -0.82900  1.0 1.0
   44    43    47    48   0.81700 -1.0 2.0
   44    43    47    48  -0.10400  1.0 3.0
   44    43    47    49  -0.82900  1.0 1.0
   44    43    47    49   0.81700 -1.0 2.0
   44    43    47    49  -0.10400  1.0 3.0
   44    43    47    50  -0.82900  1.0 1.0
   44    43    47    50   0.81700 -1.0 2.0
   44    43    47    50  -0.10400  1.0 3.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   46    44    51    52   0.00000  1.0 1.0
   46    44    51    53   0.00000  1.0 1.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    46   0.15000  1.0 3.0
   47    43    44    51   0.56750  1.0 1.0
   47    43    44    51  -0.07550 -1.0 2.0
   47    43    44    51   0.20000  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   52    44    51    53  10.50000 -1.0 2.0
END
