* LIGAND DATABASE FILE (OPLS2005)
*
001      50    50     91    136     266
    1     0 S   NP   _N1_     1    28.79695    95.56410   -23.37623
    2     1 S   H    _HN1     2     1.02950    76.14387    12.93546
    3     1 S   H    _H1_     3     1.02829    33.69999   169.10254
    4     1 S   H    _H2_     4     1.02786   106.02689   -92.54403
    5     1 S   CT   _CA1     5     1.50114   135.86288   118.09034
    6     5 S   HC   _HA1     6     1.09573   105.18896    86.70151
    7     5 S   CO3  _C1_     7     1.53787   112.48696   -33.52869
    8     7 S   O2Z  _O11     8     1.26373   115.00395   -41.98368
    9     7 S   O2Z  _O12     9     1.26241   114.94706   137.15565
   10     5 S   CT   _CB1    10     1.53080   107.42530  -155.30361
   11    10 S   HC   HB11    11     1.09833   109.36966   -49.63184
   12    10 S   HC   HB12    12     1.09813   110.44669    66.97837
   13    10 S   CT   _CG1    13     1.52992   112.60840  -170.60715
   14    13 S   HC   HG11    14     1.09581   110.64207   -65.90902
   15    13 S   HC   HG12    15     1.09672   109.77456    53.32174
   16    13 S   C    _CD1    16     1.51799   112.22406   173.78290
   17    16 S   O    _OE1    17     1.22728   123.29664     7.56888
   18    16 S   N    _N2_    18     1.38658   111.68001  -172.57693
   19    18 S   H    _HN2    19     1.01585   118.90436     1.72101
   20    18 S   CT1  _CA2    20     1.46186   123.36977   177.20159
   21    20 S   HC   _HA2    21     1.09734   109.39504     2.20336
   22    20 S   C    _C2_    22     1.53539   108.54430  -113.26648
   23    22 S   O    _O2_    23     1.23056   122.27713  -147.59664
   24    20 S   CT   _CB2    32     1.53253   111.60545   124.28239
   25    24 S   HC   HB21    33     1.09625   110.16224    56.29700
   26    24 S   HC   HB22    34     1.09572   110.24111   174.91446
   27    22 S   N    _N3_    24     1.38318   113.68523    39.81046
   28    27 S   H    _HN3    25     1.01588   119.59504    -3.27094
   29    24 S   S    _SG2    35     1.82613   111.62923   -65.01270
   30    27 S   CT   _CA3    26     1.45286   123.22738   177.16586
   31    30 S   HC   HA31    27     1.09548   107.50913   -64.67592
   32    30 S   HC   HA32    28     1.09556   107.99077    51.77046
   33    29 S   CM   _C5_    36     1.75089    99.39154   178.86392
   34    30 S   CO3  _C3_    29     1.52964   114.06171   173.76681
   35    34 S   O2Z  _O31    30     1.26378   116.06104    -0.68643
   36    34 S   O2Z  _O32    31     1.26425   114.41593   179.37349
   37    33 S   CM   _C4_    37     1.34684   118.89036    90.56006
   38    37 S   HC   _H12    38     1.08906   119.69420     0.31959
   39    37 S   CT   _C6_    39     1.50378   123.69090  -176.11234
   40    39 S   Cl   _CL8    40     1.78768   110.54856  -146.92771
   41    39 S   HC   _H13    41     1.09719   106.15720   100.48992
   42    39 S   CT   _C8_    42     1.54374   114.27213   -18.10233
   43    42 S   Cl   CL10    43     1.79610   112.55987   -80.49105
   44    42 S   HC   _H15    44     1.09653   108.64696   163.35572
   45    42 S   CT   _C9_    45     1.54282   108.40489    44.31182
   46    45 S   Cl   CL11    46     1.79080   112.16275   172.33182
   47    45 S   HC   _H16    47     1.09860   106.39203    59.83096
   48    33 S   CT   _C7_    48     1.51920   118.30182   -86.63710
   49    48 S   Cl   _CL9    49     1.79961   108.64756   -68.99719
   50    48 S   HC   _H14    50     1.09667   109.56213    45.48201
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  12   2   1   1  11   5   9   5   4   8   5   4   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    48    49    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    48    49    50  
   39    40    41    42    48  
   40    41    42    43    44    45    46    47    48  
   41    42    43    44    45  
   42    43    44    45  
   43    44    45    46    47    48    49    50  
   44    45    46    47    48  
   45    46    47    48  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50  
   49    50  
   50  
    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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   41   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   44   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   47   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   50   2.5000   0.0300   0.103000   1.4250   1.2500   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   240.000  1.763
   33    37   549.000  1.340
   33    48   317.000  1.510
   37    38   340.000  1.080
   37    39   317.000  1.510
   39    40   245.000  1.781
   39    41   340.000  1.090
   39    42   268.000  1.529
   42    43   245.000  1.781
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   245.000  1.781
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   245.000  1.781
   48    50   340.000  1.090
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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    48    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  124.00000
   33    48    45    70.00000  112.02700
   33    48    49    75.00000  111.90500
   33    48    50    35.00000  109.50000
   37    39    40    75.00000  111.90500
   37    39    41    35.00000  109.50000
   37    39    42    70.00000  112.02700
   39    37    38    35.00000  117.00000
   39    42    43    69.00000  109.80000
   39    42    44    37.50000  110.70000
   39    42    45    58.35000  112.70000
   41    39    40    51.00000  107.60000
   42    39    40    69.00000  109.80000
   42    39    41    37.50000  110.70000
   42    45    46    69.00000  109.80000
   42    45    47    37.50000  110.70000
   42    45    48    58.35000  112.70000
   44    42    43    51.00000  107.60000
   45    42    43    69.00000  109.80000
   45    42    44    37.50000  110.70000
   45    48    49    69.00000  109.80000
   45    48    50    37.50000  110.70000
   47    45    46    51.00000  107.60000
   48    33    37    70.00000  124.00000
   48    45    46    69.00000  109.80000
   48    45    47    37.50000  110.70000
   50    48    49    51.00000  107.60000
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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    48   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    48    45   0.09700  1.0 1.0
   29    33    48    45   0.15600 -1.0 2.0
   29    33    48    45  -0.50800  1.0 3.0
   29    33    48    49   0.09700  1.0 1.0
   29    33    48    49   0.15600 -1.0 2.0
   29    33    48    49  -0.50800  1.0 3.0
   29    33    48    50   0.00000  1.0 1.0
   33    37    39    40   0.09700  1.0 1.0
   33    37    39    40   0.15600 -1.0 2.0
   33    37    39    40  -0.50800  1.0 3.0
   33    37    39    41   0.00000  1.0 1.0
   33    37    39    42   0.09850  1.0 1.0
   33    37    39    42   0.15250 -1.0 2.0
   33    37    39    42  -0.50650  1.0 3.0
   37    33    48    45   0.09850  1.0 1.0
   37    33    48    45   0.15250 -1.0 2.0
   37    33    48    45  -0.50650  1.0 3.0
   37    33    48    49   0.09700  1.0 1.0
   37    33    48    49   0.15600 -1.0 2.0
   37    33    48    49  -0.50800  1.0 3.0
   37    33    48    50   0.00000  1.0 1.0
   37    39    42    43   0.56750  1.0 1.0
   37    39    42    43  -0.07550 -1.0 2.0
   37    39    42    43   0.20000  1.0 3.0
   37    39    42    44   0.15000  1.0 3.0
   37    39   -42    45   0.34400  1.0 1.0
   37    39   -42    45   0.09450 -1.0 2.0
   37    39   -42    45   0.11100  1.0 3.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    41   0.33100  1.0 3.0
   38    37    39    42   0.00000  1.0 1.0
   39    42    45    46   0.35600  1.0 1.0
   39    42    45    46  -0.14650 -1.0 2.0
   39    42    45    46   0.33350  1.0 3.0
   39    42    45    47   0.15000  1.0 3.0
   39    42    45    48   0.56750  1.0 1.0
   39    42    45    48  -0.07550 -1.0 2.0
   39    42    45    48   0.20000  1.0 3.0
   40    39    42    43   0.22500  1.0 1.0
   40    39    42    44   0.27000  1.0 3.0
   40    39    42    45   0.35600  1.0 1.0
   40    39    42    45  -0.14650 -1.0 2.0
   40    39    42    45   0.33350  1.0 3.0
   41    39    42    43   0.27000  1.0 3.0
   41    39    42    44   0.15000  1.0 3.0
   41    39    42    45   0.15000  1.0 3.0
   42    45   -48    33   0.34400  1.0 1.0
   42    45   -48    33   0.09450 -1.0 2.0
   42    45   -48    33   0.11100  1.0 3.0
   42    45    48    49   0.35600  1.0 1.0
   42    45    48    49  -0.14650 -1.0 2.0
   42    45    48    49   0.33350  1.0 3.0
   42    45    48    50   0.15000  1.0 3.0
   43    42    45    46   0.22500  1.0 1.0
   43    42    45    47   0.27000  1.0 3.0
   43    42    45    48   0.35600  1.0 1.0
   43    42    45    48  -0.14650 -1.0 2.0
   43    42    45    48   0.33350  1.0 3.0
   44    42    45    46   0.27000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    48   0.15000  1.0 3.0
   46    45    48    33   0.56750  1.0 1.0
   46    45    48    33  -0.07550 -1.0 2.0
   46    45    48    33   0.20000  1.0 3.0
   46    45    48    49   0.22500  1.0 1.0
   46    45    48    50   0.27000  1.0 3.0
   47    45    48    33   0.15000  1.0 3.0
   47    45    48    49   0.27000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   48    33    37    38   7.00000 -1.0 2.0
   48    33   -37    39   7.00000 -1.0 2.0
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
   29    48    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
END
