* LIGAND DATABASE FILE (OPLS2005)
*
001      54    53     91    138     271
    1     0 S   NP   _N1_     1    28.88219    95.73038   -23.77967
    2     1 S   H    _HN1     2     1.02796   110.03150  -103.88162
    3     1 S   H    _H1_     3     1.02945    76.37824     0.97498
    4     1 S   H    _H2_     4     1.02827    32.08953   164.21252
    5     1 S   CT   _CA1     5     1.50119   131.82069   106.37536
    6     5 S   HC   _HA1     6     1.09575   105.18157    88.13823
    7     5 S   CO3  _C1_     7     1.53773   112.29826   -32.10294
    8     7 S   O2Z  _O11     8     1.26378   115.01703   -46.62552
    9     7 S   O2Z  _O12     9     1.26217   114.92123   132.26867
   10     5 S   CT   _CB1    10     1.53046   107.38791  -153.94652
   11    10 S   HC   HB11    11     1.09846   109.40920   -49.40299
   12    10 S   HC   HB12    12     1.09809   110.47245    67.19000
   13    10 S   CT   _CG1    13     1.53025   112.60047  -170.29076
   14    13 S   HC   HG11    14     1.09545   110.71927   -66.46822
   15    13 S   HC   HG12    15     1.09656   109.70551    52.78187
   16    13 S   C    _CD1    16     1.51807   111.78670   173.48696
   17    16 S   O    _OE1    17     1.22772   123.06270    15.81241
   18    16 S   N    _N2_    18     1.38608   111.99661  -164.54327
   19    18 S   H    _HN2    19     1.01582   119.04718     1.54434
   20    18 S   CT1  _CA2    20     1.46358   123.33783   177.23381
   21    20 S   HC   _HA2    21     1.09739   109.27914     6.97105
   22    20 S   C    _C2_    22     1.53661   108.82823  -108.52451
   23    22 S   O    _O2_    23     1.23063   122.30023  -149.32573
   24    20 S   CT   _CB2    32     1.53465   111.47751   128.90057
   25    24 S   HC   HB21    33     1.09371   109.26596    58.42306
   26    24 S   HC   HB22    34     1.09465   109.89570   176.97638
   27    22 S   N    _N3_    24     1.38338   113.83285    38.19878
   28    27 S   H    _HN3    25     1.01541   119.60041    -3.16582
   29    24 S   S    _SG2    35     1.83315   110.72310   -63.91353
   30    27 S   CT   _CA3    26     1.45275   123.29213   177.22519
   31    30 S   HC   HA31    27     1.09547   107.52064   -64.77576
   32    30 S   HC   HA32    28     1.09555   107.99209    51.68619
   33    29 S   CT   _C10    36     1.88097   102.87688   158.76046
   34    30 S   CO3  _C3_    29     1.52977   114.03141   173.69569
   35    34 S   O2Z  _O31    30     1.26385   116.08263     0.04846
   36    34 S   O2Z  _O32    31     1.26426   114.41853  -179.90109
   37    33 S   CT1  _C4_    37     1.55751   109.61789  -174.87968
   38    37 S   HC   _H5_    38     1.09845   108.21297    67.31600
   39    33 S   CM   _C7_    45     1.52853   111.12637   -53.97777
   40    39 S   HC   _H7_    46     1.09207   114.21252   132.39769
   41    33 S   CO3  _C9_    52     1.57323   100.79406    63.22759
   42    41 S   O2Z  _O3_    53     1.26829   116.37569   -93.15769
   43    41 S   O2Z  _O5_    54     1.26563   116.37098    85.70593
   44    37 S   NT   _N4_    39     1.47511   114.85307   -50.52892
   45    44 S   H    _H3_    40     1.01957   109.14576   169.93057
   46    44 S   H    _H4_    41     1.01859   109.11161    53.19926
   47    37 S   CO3  _C5_    42     1.55418   117.24372  -174.57975
   48    47 S   O2Z  _O1_    43     1.26860   114.44714  -168.75284
   49    47 S   O2Z  _O33    44     1.26188   116.87024     9.54573
   50    39 S   CM   _C6_    47     1.34277   132.20707   -49.50253
   51    50 S   HC   _H6_    48     1.08709   118.62761   179.60833
   52    50 S   CO4  _C8_    49     1.47595   126.77774    -1.31135
   53    52 S   O    _O4_    50     1.22606   121.41363   173.12545
   54    52 S   HC   _H8_    51     1.09786   117.27902    -7.37704
  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  11   5   4   3
  16   2   1   1  13   8  11   4   5   1   1   5   2   1   2   1
   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    47    39    40    50    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    46    47    48    49    39    40    50    51    52    41    42    43  
   35    36  
   36  
    0  
   38    44    45    46    47    48    49    39    40    50    41    42    43  
   44    45    46    47    48    49    39    41  
   40    50    51    52    53    54    41    42    43    44    47  
   50    51    52    41  
   42    43    44    47    50  
   43  
    0  
   45    46    47    48    49  
   46    47  
   47  
   48    49  
   49  
    0  
   51    52    53    54  
   52    53    54  
   53    54  
   54  
    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   0.067500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.063900   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.700000   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   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    39   317.000  1.510
   33    41   317.000  1.522
   37    38   340.000  1.090
   37    44   305.000  1.457
   37    47   317.000  1.522
   44    45   434.000  1.010
   44    46   434.000  1.010
   47    48   656.000  1.250
   47    49   656.000  1.250
   39    40   340.000  1.080
   39    50   549.000  1.340
   50    51   340.000  1.080
   50    52   320.000  1.462
   52    53   570.000  1.229
   52    54   340.000  1.090
   41    42   656.000  1.250
   41    43   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  108.68000
   29    33    39    75.00000  112.20000
   29    33    41    70.00000  116.78000
   33    37    38    37.50000  110.70000
   33    37    44    80.00000  111.22000
   33    37    47    63.00000  111.10000
   33    39    40    35.00000  117.00000
   33    39    50    70.00000  124.00000
   33    41    42    70.00000  117.00000
   33    41    43    70.00000  117.00000
   37    44    45    50.00000  111.55300
   37    44    46    50.00000  111.55300
   37    47    48    70.00000  117.00000
   37    47    49    70.00000  117.00000
   44    37    38    50.00000  109.55000
   46    44    45    43.60000  106.40000
   47    37    38    35.00000  109.50000
   47    37    44    75.00000  111.54000
   49    47    48    80.00000  126.00000
   39    33    37    70.00000  112.02700
   39    50    51    35.00000  120.00000
   39    50    52    65.00000  118.96000
   50    39    40    35.00000  120.00000
   50    52    53    80.00000  123.72100
   50    52    54    40.00000  115.75000
   52    50    51    40.00000  117.72500
   54    52    53    35.00000  123.00000
   41    33    37    63.00000  111.10000
   41    33    39    65.00000  111.94000
   43    41    42    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    37    38   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    37    47  -2.17200  1.0 1.0
   29    33    37    47  -0.85700 -1.0 2.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    50   0.42700  1.0 1.0
   29    33    39    50  -0.70350 -1.0 2.0
   29    33    39    50  -0.43150  1.0 3.0
   29    33    41    42   0.30150 -1.0 2.0
   29    33    41    43   0.30150 -1.0 2.0
   33    37    44    45  -0.05950  1.0 1.0
   33    37    44    45   0.08850 -1.0 2.0
   33    37    44    45   0.11750  1.0 3.0
   33    37    44    46  -0.05950  1.0 1.0
   33    37    44    46   0.08850 -1.0 2.0
   33    37    44    46   0.11750  1.0 3.0
   33    37    47    48   0.00000  1.0 1.0
   33    37    47    49   0.00000  1.0 1.0
   33    39    50    51   7.00000 -1.0 2.0
   33    39    50    52   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    50   0.09850  1.0 1.0
   37    33    39    50   0.15250 -1.0 2.0
   37    33    39    50  -0.50650  1.0 3.0
   37    33    41    42   0.27300 -1.0 2.0
   37    33    41    43   0.27300 -1.0 2.0
   38    37    44    45   0.20000  1.0 3.0
   38    37    44    46   0.20000  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    49   0.00000  1.0 1.0
   44    37    47    48   0.30150 -1.0 2.0
   44    37    47    49   0.30150 -1.0 2.0
   47    37    44    45   0.21900  1.0 1.0
   47    37    44    45  -0.24900 -1.0 2.0
   47    37    44    45   0.15200  1.0 3.0
   47    37    44    46   0.21900  1.0 1.0
   47    37    44    46  -0.24900 -1.0 2.0
   47    37    44    46   0.15200  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    44   0.59950  1.0 1.0
   39    33    37    44  -0.21400 -1.0 2.0
   39    33    37    44   0.56200  1.0 3.0
   39    33    37    47  -0.98800  1.0 1.0
   39    33    37    47   0.48800 -1.0 2.0
   39    33    37    47   0.76800  1.0 3.0
   39    33    41    42   0.30150 -1.0 2.0
   39    33    41    43   0.30150 -1.0 2.0
   39    50    52    53   1.00000 -1.0 2.0
   39    50    52    54  -0.79650  1.0 1.0
   39    50    52    54   1.60950 -1.0 2.0
   39    50    52    54  -0.26250  1.0 3.0
   40    39    50    51   7.00000 -1.0 2.0
   40    39    50    52   7.00000 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.93100 -1.0 2.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    44  -3.56550  1.0 1.0
   41    33    37    44  -0.67500 -1.0 2.0
   41    33    37    44   1.11300  1.0 3.0
   41    33    37    47  -2.38700  1.0 1.0
   41    33    37    47   1.51550 -1.0 2.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    50  -0.51250  1.0 1.0
   41    33    39    50  -0.88800 -1.0 2.0
   41    33    39    50   0.08850  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
   36    30    34    35  10.50000 -1.0 2.0
   48    37    47    49  10.50000 -1.0 2.0
   33    40    39    50  15.00000 -1.0 2.0
   52    51    50    39  15.00000 -1.0 2.0
   50    54    52    53  10.50000 -1.0 2.0
   42    33    41    43  10.50000 -1.0 2.0
END
