* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    134    222     403
    1     0 S   NP   _N1_     1    28.89545    92.35323   -23.10207
    2     1 S   H    _HN1     2     1.02804    87.12016  -105.43240
    3     1 S   H    _H1_     3     1.02859   105.06675     2.60669
    4     1 S   H    _H2_     4     1.02971    23.15848   101.42673
    5     1 S   CT   _CA1     5     1.50450   129.55830   138.08976
    6     5 S   HC   _HA1     6     1.09669   104.73220    49.09774
    7     5 S   CO3  _C1_     7     1.54613   110.99083   -67.17115
    8     7 S   O2Z  _O11     8     1.26195   116.93128  -119.80885
    9     7 S   O2Z  _O12     9     1.26529   113.86853    58.97082
   10     5 S   CT   _CB1    10     1.53084   107.13614   165.53995
   11    10 S   HC   HB11    11     1.09817   110.53361   -40.59856
   12    10 S   HC   HB12    12     1.09780   109.61065    75.92619
   13    10 S   CT   _CG1    13     1.53170   112.16867  -161.16257
   14    13 S   HC   HG11    14     1.09581   110.75754   -43.24547
   15    13 S   HC   HG12    15     1.09617   110.00710    75.51437
   16    13 S   C    _CD1    16     1.51709   112.04812  -163.79527
   17    16 S   O    _OE1    17     1.22738   123.20313   -11.21624
   18    16 S   N    _N2_    18     1.38651   111.77540   168.07132
   19    18 S   H    _HN2    19     1.01568   119.26590     6.10262
   20    18 S   CT1  _CA2    20     1.46193   122.94257  -170.84996
   21    20 S   HC   _HA2    21     1.09723   109.32500    -8.51737
   22    20 S   C    _C2_    22     1.53238   109.03288  -124.77633
   23    22 S   O    _O2_    23     1.23025   122.08663  -145.95618
   24    20 S   CT   _CB2    32     1.53713   111.12671   112.67510
   25    24 S   HC   HB21    33     1.09436   109.44677    63.39602
   26    24 S   HC   HB22    34     1.09525   110.16881  -178.04015
   27    22 S   N    _N3_    24     1.38454   113.44545    41.37900
   28    27 S   H    _HN3    25     1.01524   118.95188    -0.35608
   29    24 S   S    _SG2    35     1.82977   111.56110   -57.64072
   30    27 S   CT   _CA3    26     1.45453   123.35698   175.09859
   31    30 S   HC   HA31    27     1.09531   109.11487    26.43698
   32    30 S   HC   HA32    28     1.09492   107.14173   143.43126
   33    29 S   CT   _C9_    36     1.83676   100.47355   178.38033
   34    33 S   HC   _H6_    37     1.09531   106.83209    53.15623
   35    30 S   CO3  _C3_    29     1.52944   113.24638   -96.95054
   36    35 S   O2Z  _O31    30     1.26391   115.46778   -42.65493
   37    35 S   O2Z  _O32    31     1.26367   114.93676   138.29303
   38    33 S   CT   _C8_    38     1.54202   113.21386   -68.62548
   39    38 S   HC   _H8_    39     1.09287   113.62820    23.33091
   40    38 S   HC   _H9_    40     1.09654   109.41935   144.24038
   41    33 S   CT   _C10    50     1.54756   112.54108   175.63843
   42    38 S   NE   _N6_    41     1.46501   105.95337   -98.91861
   43    41 S   OH   _O33    51     1.42841   109.61919  -157.57322
   44    43 S   HO   _H10    52     0.97190   107.97418    47.86842
   45    41 S   OH   _O34    53     1.41696   115.07386   -34.99192
   46    45 S   HO   _H11    54     0.97219   107.73942   -28.30698
   47    42 S   CDX  _C4_    42     1.38005   124.43821  -175.07916
   48    47 S   NE   _N5_    43     1.37559   114.67213   152.68643
   49    48 S   H    _H7_    44     1.01609   117.24709  -179.51543
   50    47 S   NI   _N4_    72     1.30154   125.03075   -25.40259
   51    50 S   H    _H3_    73     1.02281   109.50274    -1.66507
   52    48 S   CT   _C5_    45     1.45604   123.58309   -18.87050
   53    52 S   HC   _H4_    46     1.09719   107.40538   166.57675
   54    52 S   CT   _C6_    47     1.53087   109.60839    47.78441
   55    54 S   HC   _H5_    48     1.09571   111.02498  -164.53838
   56    52 S   CT   _C12    63     1.53396   109.63725   -76.10860
   57    56 S   HC   _H16    64     1.09616   110.03439   173.22350
   58    56 S   HC   _H17    65     1.09572   111.70379    51.50958
   59    42 S   CT   _C7_    49     1.46280   111.31054     0.06853
   60    56 S   OS   _O35    66     1.44087   108.44283   -68.55852
   61    59 S   NG   _N7_    55     1.48027   109.06998    95.99481
   62    61 S   H    _H12    56     1.01636   127.19197   -60.51514
   63    60 S   CO4  _C13    67     1.36174   115.60523   178.15199
   64    63 S   O    _O36    68     1.22516   125.47961     0.48254
   65    61 S   CG   _C11    57     1.37940   109.34566   117.92181
   66    63 S   N    _N10    69     1.36850   110.27254  -179.57113
   67    66 S   H    _H18    70     1.01333   120.98964   180.00000
   68    66 S   H    _H19    71     1.01323   121.12653     0.14265
   69    54 S   NG   _N9_    58     1.48614   109.68530    79.95465
   70    69 S   H    _H15    59     1.01570   127.46240    53.19052
   71    65 S   NG   _N8_    60     1.36165   123.51780  -177.48394
   72    71 S   H    _H13    61     1.01497   121.71905   179.80719
   73    71 S   H    _H14    62     1.02158   120.51643     2.10292
  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  10   5   4   3
  14   8   2   1   1  12   5   4  14  15   6   2   4   1  10  13
   5   3   1  13   8  12   6   8   3   2   6   5   7   3   4   3
   5   2   1   1   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    59    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    47    54    59    41    43    44    45    46    61  
   38    39    40    42    59    41    43    45  
   36    37  
   37  
    0  
   39    40    42    47    48    54    59    41    43    45    61    50  
   40    42    47    59    41  
   42    47    59    41  
   43    44    45    46    61    62    65    69    42    47    52    54    55    59  
   47    48    49    52    54    55    59    43    45    61    62    65    69    50    51  
   44    45    46    61    54    59  
   45    59  
   46    61    54    59  
   59  
   48    49    52    53    54    59    61    56    50    51  
   49    52    53    54    55    59    69    56    57    58    60    50    51  
   52    53    54    56    50  
   51    52    59  
    0  
   53    54    55    59    61    65    69    70    56    57    58    60    63  
   54    55    59    69    56    57    58    60  
   55    59    61    62    65    69    70    71    56    57    58    60  
   59    61    65    69    70    56  
   57    58    60    63    64    66    59    69  
   58    60    63  
   60    63  
   61    62    65    69    70    71  
   63    64    66    67    68  
   62    65    69    70    71    72    73  
   65    69    71  
   64    66    67    68  
   66    67    68  
   69    70    71    72    73  
   67    68  
   68  
    0  
   70    71    72    73  
   71  
   72    73  
   73  
    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   0.177500   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   3.5000   0.0660   0.029000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.2500   0.1700  -0.316500   2.1120   1.8750   0.051222218  -2.220205820
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.309000   2.1120   1.8750   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   49   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.2800   0.1700  -0.785000   1.9250   1.7000   0.054801302  -2.445846770
   51   0.5000   0.0300   0.426000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.159000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.273000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.385500   1.9750   1.7500   0.005000000  -0.741685710
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.2500   0.1700  -0.528167   2.1950   1.9500   0.003973653   1.685851020
   62   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   65   2.2500   0.0500   0.693900   2.1120   1.8750   0.001000000  -0.126889456
   66   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   67   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   68   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   69   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   70   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   71   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   72   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   73   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   382.000  1.448
   42    47   445.000  1.380
   42    59   382.000  1.448
   47    48   445.000  1.380
   47    50   650.000  1.285
   48    49   434.000  1.010
   48    52   382.000  1.448
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   268.000  1.529
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    69   337.000  1.463
   59    41   268.000  1.529
   59    61   337.000  1.463
   41    43   320.000  1.410
   41    45   320.000  1.410
   43    44   553.000  0.945
   45    46   553.000  0.945
   61    62   434.000  1.010
   61    65   481.000  1.340
   65    69   481.000  1.340
   65    71   481.000  1.340
   69    70   434.000  1.010
   71    72   434.000  1.010
   71    73   434.000  1.010
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   320.000  1.410
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    66   435.000  1.380
   66    67   434.000  1.010
   66    68   434.000  1.010
   50    51   434.000  1.010
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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    80.00000  111.61500
   33    41    59    58.35000  112.70000
   33    41    43    50.00000  109.50000
   33    41    45    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    47    50.00000  119.50000
   38    42    59    50.00000  115.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    47    48    85.00000  116.27000
   42    47    50    75.00000  124.36500
   42    59    54    80.00000  111.61500
   42    59    41    80.00000  111.61500
   42    59    61    85.00000  113.60000
   47    48    49    35.00000  119.50000
   47    48    52    50.00000  119.50000
   47    50    51    55.00000  110.29700
   48    52    53    35.00000  109.50000
   48    52    54    80.00000  111.61500
   48    52    56    80.00000  111.61500
   52    48    49    35.00000  112.50000
   52    54    55    37.50000  110.70000
   52    54    59    58.35000  112.70000
   52    54    69    80.00000  111.20000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    60    50.00000  109.50000
   54    52    53    37.50000  110.70000
   54    59    41    58.35000  112.70000
   54    59    61    80.00000  111.20000
   54    69    65    50.00000  123.20000
   54    69    70    35.00000  118.40000
   59    42    47    50.00000  119.50000
   59    54    55    37.50000  110.70000
   59    41    43    50.00000  109.50000
   59    41    45    50.00000  109.50000
   59    61    62    35.00000  118.40000
   59    61    65    50.00000  123.20000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    43    44    55.00000  108.50000
   41    45    46    55.00000  108.50000
   45    41    43   115.00000  113.08500
   61    59    41    80.00000  111.20000
   61    65    69    70.00000  120.00000
   61    65    71    70.00000  120.00000
   65    61    62    35.00000  120.00000
   65    69    70    35.00000  120.00000
   65    71    72    35.00000  120.00000
   65    71    73    35.00000  120.00000
   69    54    55    35.00000  109.50000
   69    54    59    80.00000  111.20000
   71    65    69    70.00000  120.00000
   73    71    72    35.00000  120.00000
   56    52    53    37.50000  110.70000
   56    52    54    58.35000  112.70000
   56    60    63    83.00000  116.90000
   58    56    57    33.00000  107.80000
   60    56    57    35.00000  109.50000
   60    56    58    35.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    66   110.00000  108.75700
   63    66    67    50.00000  116.34900
   63    66    68    50.00000  116.34900
   66    63    64    85.00000  125.96000
   68    66    67    35.00000  120.00000
   50    47    48    75.00000  124.36500
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    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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    59   0.44750  1.0 1.0
   29    33    41    59  -0.17800 -1.0 2.0
   29    33    41    59   0.20200  1.0 3.0
   29    33    41    43   0.56750  1.0 1.0
   29    33    41    43  -0.07550 -1.0 2.0
   29    33    41    43   0.20000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    42    47   0.38950  1.0 1.0
   33    38    42    47  -0.47050 -1.0 2.0
   33    38    42    47   0.83150  1.0 3.0
   33    38   -42    59   0.00000  1.0 1.0
   33    41    43    44  -0.11600  1.0 1.0
   33    41    43    44  -0.09450 -1.0 2.0
   33    41    43    44   0.21250  1.0 3.0
   33    41    45    46  -0.11600  1.0 1.0
   33    41    45    46  -0.09450 -1.0 2.0
   33    41    45    46   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.22950  1.0 3.0
   34    33    41    59   0.15000  1.0 3.0
   34    33    41    43   0.23400  1.0 3.0
   34    33    41    45   0.23400  1.0 3.0
   38    33   -41    59   0.56750  1.0 1.0
   38    33   -41    59  -0.07550 -1.0 2.0
   38    33   -41    59   0.20000  1.0 3.0
   38    33    41    43   0.86500  1.0 1.0
   38    33    41    43  -0.17500 -1.0 2.0
   38    33    41    43   0.20800  1.0 3.0
   38    33    41    45   0.86500  1.0 1.0
   38    33    41    45  -0.17500 -1.0 2.0
   38    33    41    45   0.20800  1.0 3.0
   38    42    47    48   1.17450  1.0 1.0
   38    42    47    48   0.83550 -1.0 2.0
   38    42    47    50  -0.86000  1.0 1.0
   38    42    47    50   0.84650 -1.0 2.0
   38    42    59    54   0.00000  1.0 1.0
   38    42   -59    41   0.00000  1.0 1.0
   38    42    59    61   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    42    59   0.00000  1.0 1.0
   40    38    42    47   0.00000  1.0 1.0
   40    38    42    59   0.00000  1.0 1.0
   42    47    48    49   1.00000 -1.0 2.0
   42    47    48    52   1.17450  1.0 1.0
   42    47    48    52   0.83550 -1.0 2.0
   42    47    50    51  -1.91600  1.0 1.0
   42    47    50    51   8.35800 -1.0 2.0
   42    59   -41    33   1.26750  1.0 1.0
   42    59   -41    33  -0.00950 -1.0 2.0
   42    59   -41    33   0.30600  1.0 3.0
   42    59    41    43   4.07950  1.0 1.0
   42    59    41    43  -0.26450 -1.0 2.0
   42    59    41    43  -0.12150  1.0 3.0
   42    59    41    45   4.07950  1.0 1.0
   42    59    41    45  -0.26450 -1.0 2.0
   42    59    41    45  -0.12150  1.0 3.0
   42    59    61    62   0.00000  1.0 1.0
   42    59    61    65  -0.12500  1.0 1.0
   42    59    61    65  -0.12500 -1.0 2.0
   42    59    61    65   0.25000  1.0 3.0
   47    42    59    54   0.38950  1.0 1.0
   47    42    59    54  -0.47050 -1.0 2.0
   47    42    59    54   0.83150  1.0 3.0
   47    42    59    41   0.38950  1.0 1.0
   47    42    59    41  -0.47050 -1.0 2.0
   47    42    59    41   0.83150  1.0 3.0
   47    42    59    61  -0.12500  1.0 1.0
   47    42    59    61  -0.12500 -1.0 2.0
   47    42    59    61   0.25000  1.0 3.0
   47    48    52    53   0.00000  1.0 1.0
   47    48   -52    54   0.38950  1.0 1.0
   47    48   -52    54  -0.47050 -1.0 2.0
   47    48   -52    54   0.83150  1.0 3.0
   47    48    52    56   0.38950  1.0 1.0
   47    48    52    56  -0.47050 -1.0 2.0
   47    48    52    56   0.83150  1.0 3.0
   48    47    50    51  -1.91600  1.0 1.0
   48    47    50    51   8.35800 -1.0 2.0
   48    52    54    55   0.22950  1.0 3.0
   48    52    54    59   1.26750  1.0 1.0
   48    52    54    59  -0.00950 -1.0 2.0
   48    52    54    59   0.30600  1.0 3.0
   48    52    54    69   2.20050  1.0 1.0
   48    52    54    69   0.63450 -1.0 2.0
   48    52    54    69  -0.91300  1.0 3.0
   48    52    56    57   0.22950  1.0 3.0
   48    52    56    58   0.22950  1.0 3.0
   48    52    56    60   2.03850  1.0 1.0
   48    52    56    60  -0.40600 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   49    48    52    56   0.00000  1.0 1.0
   52    54   -59    42   1.26750  1.0 1.0
   52    54   -59    42  -0.00950 -1.0 2.0
   52    54   -59    42   0.30600  1.0 3.0
   52    54    59    41   0.56750  1.0 1.0
   52    54    59    41  -0.07550 -1.0 2.0
   52    54    59    41   0.20000  1.0 3.0
   52    54    59    61   1.34550  1.0 1.0
   52    54    59    61  -0.31050 -1.0 2.0
   52    54    59    61   0.95500  1.0 3.0
   52    54    69    65   0.25550 -1.0 2.0
   52    54    69    70  -0.09500  1.0 1.0
   52    54    69    70  -0.20850 -1.0 2.0
   52    54    69    70   0.20900  1.0 3.0
   52    56    60    63  -0.25900  1.0 1.0
   52    56    60    63  -0.47000 -1.0 2.0
   52    56    60    63   0.11750  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   53    52    54    69  -0.29100  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    60   0.23400  1.0 3.0
   54    52    56    57   0.15000  1.0 3.0
   54    52    56    58   0.15000  1.0 3.0
   54    52    56    60   0.62750  1.0 1.0
   54    52    56    60  -0.30950 -1.0 2.0
   54    52    56    60   0.27300  1.0 3.0
   54    59    41    33   0.56750  1.0 1.0
   54    59    41    33  -0.07550 -1.0 2.0
   54    59    41    33   0.20000  1.0 3.0
   54    59    41    43   0.86500  1.0 1.0
   54    59    41    43  -0.17500 -1.0 2.0
   54    59    41    43   0.20800  1.0 3.0
   54    59    41    45   0.86500  1.0 1.0
   54    59    41    45  -0.17500 -1.0 2.0
   54    59    41    45   0.20800  1.0 3.0
   54    59    61    62  -0.09500  1.0 1.0
   54    59    61    62  -0.20850 -1.0 2.0
   54    59    61    62   0.20900  1.0 3.0
   54    59   -61    65   0.25550 -1.0 2.0
   55    54    59    42   0.22950  1.0 3.0
   55    54    59    41   0.15000  1.0 3.0
   55    54    59    61  -0.29100  1.0 3.0
   55    54    69    65   0.08850  1.0 3.0
   55    54    69    70   0.00000  1.0 1.0
   59    42   -47    48   1.17450  1.0 1.0
   59    42   -47    48   0.83550 -1.0 2.0
   59    42    47    50  -0.86000  1.0 1.0
   59    42    47    50   0.84650 -1.0 2.0
   59    54   -69    65   0.25550 -1.0 2.0
   59    54    69    70  -0.09500  1.0 1.0
   59    54    69    70  -0.20850 -1.0 2.0
   59    54    69    70   0.20900  1.0 3.0
   59    41    43    44  -0.11600  1.0 1.0
   59    41    43    44  -0.09450 -1.0 2.0
   59    41    43    44   0.21250  1.0 3.0
   59    41    45    46  -0.11600  1.0 1.0
   59    41    45    46  -0.09450 -1.0 2.0
   59    41    45    46   0.21250  1.0 3.0
   59    61   -65    69   3.96800 -1.0 2.0
   59    61    65    71   3.96800 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    42   1.26750  1.0 1.0
   41    33   -38    42  -0.00950 -1.0 2.0
   41    33   -38    42   0.30600  1.0 3.0
   41    59    61    62  -0.09500  1.0 1.0
   41    59    61    62  -0.20850 -1.0 2.0
   41    59    61    62   0.20900  1.0 3.0
   41    59    61    65   0.25550 -1.0 2.0
   43    41    45    46   0.13450  1.0 1.0
   43    41    45    46  -0.58300 -1.0 2.0
   43    41    45    46   0.14300  1.0 3.0
   45    41    43    44   0.13450  1.0 1.0
   45    41    43    44  -0.58300 -1.0 2.0
   45    41    43    44   0.14300  1.0 3.0
   61    59    41    33   1.34550  1.0 1.0
   61    59    41    33  -0.31050 -1.0 2.0
   61    59    41    33   0.95500  1.0 3.0
   61    59    41    43   4.07950  1.0 1.0
   61    59    41    43  -0.26450 -1.0 2.0
   61    59    41    43  -0.12150  1.0 3.0
   61    59    41    45   4.07950  1.0 1.0
   61    59    41    45  -0.26450 -1.0 2.0
   61    59    41    45  -0.12150  1.0 3.0
   61    65   -69    54   3.96800 -1.0 2.0
   61    65    69    70   1.50000 -1.0 2.0
   61    65    71    72   1.50000 -1.0 2.0
   61    65    71    73   1.50000 -1.0 2.0
   62    61    65    69   1.50000 -1.0 2.0
   62    61    65    71   1.50000 -1.0 2.0
   69    54    59    42   2.20050  1.0 1.0
   69    54    59    42   0.63450 -1.0 2.0
   69    54    59    42  -0.91300  1.0 3.0
   69    54    59    41   1.34550  1.0 1.0
   69    54    59    41  -0.31050 -1.0 2.0
   69    54    59    41   0.95500  1.0 3.0
   69    54   -59    61   2.20050  1.0 1.0
   69    54   -59    61   0.63450 -1.0 2.0
   69    54   -59    61  -0.91300  1.0 3.0
   69    65    71    72   1.50000 -1.0 2.0
   69    65    71    73   1.50000 -1.0 2.0
   71    65    69    54   3.96800 -1.0 2.0
   71    65    69    70   1.50000 -1.0 2.0
   56    52    54    55   0.15000  1.0 3.0
   56    52    54    59   0.56750  1.0 1.0
   56    52    54    59  -0.07550 -1.0 2.0
   56    52    54    59   0.20000  1.0 3.0
   56    52    54    69   1.34550  1.0 1.0
   56    52    54    69  -0.31050 -1.0 2.0
   56    52    54    69   0.95500  1.0 3.0
   56    60    63    64   3.00000 -1.0 2.0
   56    60    63    66  -0.80800  1.0 1.0
   56    60    63    66   2.06850 -1.0 2.0
   57    56    60    63   0.08050  1.0 3.0
   58    56    60    63   0.08050  1.0 3.0
   60    63    66    67   2.56700 -1.0 2.0
   60    63    66    68   2.56700 -1.0 2.0
   64    63    66    67   2.45000 -1.0 2.0
   64    63    66    68   2.45000 -1.0 2.0
   50    47    48    49   1.50000 -1.0 2.0
   50    47    48    52  -0.86000  1.0 1.0
   50    47    48    52   0.84650 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   59    47    42    38   1.00000 -1.0 2.0
   42    48    47    50  10.50000 -1.0 2.0
   49    47    48    52   1.00000 -1.0 2.0
   59    62    61    65   1.00000 -1.0 2.0
   69    71    65    61  10.50000 -1.0 2.0
   70    65    69    54   1.00000 -1.0 2.0
   73    65    71    72   1.00000 -1.0 2.0
   60    66    63    64  10.50000 -1.0 2.0
   68    63    66    67   1.00000 -1.0 2.0
END
