* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     95    145     279
    1     0 S   NP   _N1_     1    28.75856    96.51920   -23.36540
    2     1 S   H    _HN1     2     1.02948    70.26913     9.20985
    3     1 S   H    _H1_     3     1.02827    39.17601   168.27948
    4     1 S   H    _H2_     4     1.02789   107.43797   -94.57964
    5     1 S   CT   _CA1     5     1.50116   137.19478   108.28729
    6     5 S   HC   _HA1     6     1.09573   105.17972    95.05243
    7     5 S   CO3  _C1_     7     1.53778   112.49295   -25.16989
    8     7 S   O2Z  _O11     8     1.26373   115.00403   -41.95002
    9     7 S   O2Z  _O12     9     1.26240   114.94641   137.15712
   10     5 S   CT   _CB1    10     1.53072   107.41544  -146.96066
   11    10 S   HC   HB11    11     1.09836   109.34653   -49.56661
   12    10 S   HC   HB12    12     1.09811   110.45953    67.03712
   13    10 S   CT   _CG1    13     1.53000   112.62214  -170.52794
   14    13 S   HC   HG11    14     1.09575   110.67589   -66.56342
   15    13 S   HC   HG12    15     1.09671   109.74016    52.67488
   16    13 S   C    _CD1    16     1.51804   112.14619   173.13876
   17    16 S   O    _OE1    17     1.22737   123.24852     9.34477
   18    16 S   N    _N2_    18     1.38651   111.72969  -170.68301
   19    18 S   H    _HN2    19     1.01574   118.94355     1.55318
   20    18 S   CT1  _CA2    20     1.46233   123.41115   176.93970
   21    20 S   HC   _HA2    21     1.09738   109.32695     5.61590
   22    20 S   C    _C2_    22     1.53625   108.65341  -109.83740
   23    22 S   O    _O2_    23     1.23060   122.29441  -148.00363
   24    20 S   CT   _CB2    32     1.53332   111.59344   127.62170
   25    24 S   HC   HB21    33     1.09594   110.13299    56.04449
   26    24 S   HC   HB22    34     1.09439   110.07328   175.04425
   27    22 S   N    _N3_    24     1.38335   113.78286    39.46342
   28    27 S   H    _HN3    25     1.01559   119.62511    -3.14137
   29    24 S   S    _SG2    35     1.82727   111.49638   -64.75135
   30    27 S   CT   _CA3    26     1.45288   123.25194   177.20656
   31    30 S   HC   HA31    27     1.09548   107.49811   -65.06350
   32    30 S   HC   HA32    28     1.09555   108.00990    51.39266
   33    29 S   CT   _C7_    36     1.82437    99.18658   175.27905
   34    33 S   HC   _H5_    37     1.09459   109.14813   -52.69469
   35    30 S   CO3  _C3_    29     1.52972   114.05026   173.39969
   36    35 S   O2Z  _O31    30     1.26381   116.07052    -0.64740
   37    35 S   O2Z  _O32    31     1.26426   114.41615   179.41550
   38    33 S   CO4  _C8_    38     1.50469   108.30736  -170.78774
   39    38 S   O    _O33    39     1.22305   125.57069    67.59217
   40    38 S   OS   _O34    40     1.36384   110.56103  -111.94465
   41    40 S   CT   _C5_    41     1.43882   111.27274     4.27168
   42    41 S   HC   _H3_    42     1.09620   107.70527  -135.38933
   43    33 S   CT   _C6_    43     1.51828   113.83925    74.74079
   44    43 S   HC   _H4_    44     1.09604   113.83560   -24.20463
   45    41 S   CT   _C4_    48     1.52963   108.77751   105.18556
   46    45 S   HC   _H6_    49     1.09650   110.30988   -47.82190
   47    45 S   HC   _H7_    50     1.09711   109.44701  -166.51179
   48    43 S   CO3  _C9_    45     1.54316   111.56344  -145.35818
   49    48 S   O2Z  _O36    46     1.26252   116.49863   -36.90078
   50    48 S   O2Z  _O35    47     1.26492   114.28691   143.24179
   51    45 S   CO3  _C10    51     1.53383   115.87145    73.39719
   52    51 S   O2Z  _O38    52     1.26078   116.93129     5.19403
   53    51 S   O2Z  _O37    53     1.26592   113.93785  -175.16941
  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
  12   7   2   1   1   8   3   9  12   7   8   4   6   4   3   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    41    43    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    48    49    50    45  
   38    39    40    41    43    44    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    48    45  
   40    41    43  
   41    42    43    44    48    45    46    47    51  
   42    43    44    48    49    50    45    46    47    51    52    53  
   43    44    48    45    46    47    51  
   44    48    49    50    45    46    47    51  
   48    49    50    45  
   46    47    51    52    53    48  
   47    51    52    53  
   51    52    53  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.700000   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   3.7500   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  1.522
   33    43   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   268.000  1.529
   43    44   340.000  1.090
   43    48   317.000  1.522
   48    49   656.000  1.250
   48    50   656.000  1.250
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   317.000  1.522
   51    52   656.000  1.250
   51    53   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  110.18000
   29    33    43    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    43    41    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    48    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    50.00000  109.50000
   40    41    45    50.00000  109.50000
   41    43    44    37.50000  110.70000
   41    43    48    70.00000  109.69300
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    51    70.00000  109.69300
   43    33    34    37.50000  110.70000
   43    33    38    63.00000  111.10000
   43    41    42    37.50000  110.70000
   43    48    49    70.00000  117.00000
   43    48    50    70.00000  117.00000
   48    43    44    35.00000  109.50000
   50    48    49    80.00000  126.00000
   45    41    42    37.50000  110.70000
   45    41    43    58.35000  112.70000
   45    51    52    70.00000  117.00000
   45    51    53    70.00000  117.00000
   47    45    46    33.00000  107.80000
   51    45    46    35.00000  109.50000
   51    45    47    35.00000  109.50000
   53    51    52    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  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   0.30150 -1.0 2.0
   29    33    38    40   0.40000  1.0 3.0
   29    33    43    41   0.44750  1.0 1.0
   29    33    43    41  -0.17800 -1.0 2.0
   29    33    43    41   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    38   -40    41   1.63150  1.0 1.0
   33    38   -40    41   2.92000 -1.0 2.0
   33    43    48    49   0.41150 -1.0 2.0
   33    43    48    50   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    41   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    48  -0.11250  1.0 3.0
   38    33   -43    41  -0.95700  1.0 1.0
   38    33   -43    41  -0.18200 -1.0 2.0
   38    33   -43    41   0.29450  1.0 3.0
   38    33    43    44  -0.11250  1.0 3.0
   38    33    43    48  -0.30950  1.0 1.0
   38    33    43    48   1.11150 -1.0 2.0
   38    33    43    48   0.40350  1.0 3.0
   38    40    41    42   0.08050  1.0 3.0
   38    40   -41    43  -0.25900  1.0 1.0
   38    40   -41    43  -0.47000 -1.0 2.0
   38    40   -41    43   0.11750  1.0 3.0
   38    40    41    45  -0.25900  1.0 1.0
   38    40    41    45  -0.47000 -1.0 2.0
   38    40    41    45   0.11750  1.0 3.0
   39    38    40    41   3.00000 -1.0 2.0
   40    41   -43    33   0.62750  1.0 1.0
   40    41   -43    33  -0.30950 -1.0 2.0
   40    41   -43    33   0.27300  1.0 3.0
   40    41    43    44   0.23400  1.0 3.0
   40    41    43    48  -3.35100  1.0 1.0
   40    41    43    48  -0.37050 -1.0 2.0
   40    41    43    48   0.22400  1.0 3.0
   40    41    45    46   0.23400  1.0 3.0
   40    41    45    47   0.23400  1.0 3.0
   40    41    45    51  -3.35100  1.0 1.0
   40    41    45    51  -0.37050 -1.0 2.0
   40    41    45    51   0.22400  1.0 3.0
   41    43    48    49   0.41150 -1.0 2.0
   41    43    48    50   0.41150 -1.0 2.0
   41    45    51    52   0.41150 -1.0 2.0
   41    45    51    53   0.41150 -1.0 2.0
   42    41    43    33   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    48  -0.11250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    51  -0.11250  1.0 3.0
   43    33    38    39   0.30150 -1.0 2.0
   43    33   -38    40   0.36750  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    51  -1.63150  1.0 1.0
   43    41    45    51  -0.43550 -1.0 2.0
   43    41    45    51   0.24500  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   45    41    43    33   0.56750  1.0 1.0
   45    41    43    33  -0.07550 -1.0 2.0
   45    41    43    33   0.20000  1.0 3.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    48  -1.63150  1.0 1.0
   45    41    43    48  -0.43550 -1.0 2.0
   45    41    43    48   0.24500  1.0 3.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    53   0.00000  1.0 1.0
   47    45    51    52   0.00000  1.0 1.0
   47    45    51    53   0.00000  1.0 1.0
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    40    38    39  10.50000 -1.0 2.0
   49    43    48    50  10.50000 -1.0 2.0
   52    45    51    53  10.50000 -1.0 2.0
END
