* LIGAND DATABASE FILE (OPLS2005)
*
001      97    96    168    241     486
    1     0 S   NP   _N1_     1    31.32253    91.61402   -21.33736
    2     1 S   H    _HN1     2     1.02899    94.59193   110.40068
    3     1 S   H    _H1_     3     1.02729    16.58470   -30.40775
    4     1 S   H    _H2_     4     1.03223   122.78569    -3.80601
    5     1 S   CT   _CA1     5     1.50266   107.43658  -136.24085
    6     5 S   HC   _HA1     6     1.09499   105.12401    74.90430
    7     5 S   CO3  _C1_     7     1.53602   113.45601   -45.78549
    8     7 S   O2Z  _O11     8     1.26388   115.16051   -32.74930
    9     7 S   O2Z  _O12     9     1.26278   114.99937   146.74965
   10     5 S   CT   _CB1    10     1.52706   107.07595  -166.60234
   11    10 S   HC   HB11    11     1.09423   108.77919   -44.16155
   12    10 S   HC   HB12    12     1.09810   110.41601    71.65563
   13    10 S   CT   _CG1    13     1.53149   113.93831  -165.22589
   14    13 S   HC   HG11    14     1.09516   111.16515   -84.27179
   15    13 S   HC   HG12    15     1.09561   111.40203    35.93364
   16    13 S   C    _CD1    16     1.51418   108.57611   154.47818
   17    16 S   O    _OE1    17     1.22879   121.83517  -101.02370
   18    16 S   N    _N2_    18     1.38435   112.99846    75.37873
   19    18 S   H    _HN2    19     1.01559   119.18032    10.70962
   20    18 S   CT1  _CA2    20     1.45930   122.91520  -165.97429
   21    20 S   HC   _HA2    21     1.09586   108.46858    15.14922
   22    20 S   C    _C2_    22     1.53480   110.63539  -100.45131
   23    22 S   O    _O2_    23     1.23130   122.04485  -143.46907
   24    20 S   CT   _CB2    32     1.53720   111.63864   135.86557
   25    24 S   HC   HB21    33     1.09695   109.18369    73.61525
   26    24 S   HC   HB22    34     1.09568   110.46739  -170.26169
   27    22 S   N    _N3_    24     1.38267   114.12295    44.29286
   28    27 S   H    _HN3    25     1.01592   119.95926    -2.61823
   29    24 S   S    _SG2    35     1.83554   116.67740   -45.38135
   30    27 S   CT   _CA3    26     1.45342   122.71968   176.12682
   31    30 S   HC   HA31    27     1.09571   107.54208   -62.63436
   32    30 S   HC   HA32    28     1.09566   107.86001    53.68253
   33    29 S   CT   _C20    36     1.84378   102.23009   -57.12659
   34    33 S   HC   _H5_    37     1.09060   103.68316    53.28450
   35    30 S   CO3  _C3_    29     1.52855   114.40712   175.84183
   36    35 S   O2Z  _O31    30     1.26309   116.13694     3.36912
   37    35 S   O2Z  _O32    31     1.26451   114.37346  -176.75189
   38    33 S   CM   _C19    38     1.50698   110.11320   -64.70358
   39    38 S   HC   _H26    39     1.08799   117.73546   -63.14582
   40    33 S   CM   _C21    78     1.53631   111.43490   170.46259
   41    38 S   CM   _C18    40     1.34282   122.49909   115.86768
   42    41 S   HC   _H25    41     1.08525   118.40602     0.72685
   43    40 S   CMA  _C22    79     1.36976   123.79809  -134.72579
   44    43 S   OM   _O34    80     1.26301   128.03074   174.77790
   45    40 S   CT   _C26    94     1.52315   116.15307    45.66649
   46    45 S   HC   _H34    95     1.09455   110.74781   -77.87167
   47    45 S   HC   _H35    96     1.09492   110.80036    43.01112
   48    45 S   HC   _H36    97     1.09488   112.96612   161.66275
   49    41 S   CM   _C17    42     1.44573   123.64411  -178.08286
   50    49 S   HC   _H24    43     1.08907   115.95336    -6.26867
   51    43 S   NE   _N4_    81     1.40078   120.97911    -5.47754
   52    51 S   H    _H27    82     1.01289   115.01530    -7.16692
   53    49 S   CM   _C16    44     1.34361   126.85137   172.45007
   54    53 S   HC   _H23    45     1.08918   116.99953  -178.80237
   55    51 S   CT   _C23    83     1.46676   130.61934  -175.78225
   56    55 S   HC   _H6_    84     1.09666   110.70442   -34.30845
   57    53 S   CM   _C15    46     1.44950   127.04101     0.04846
   58    57 S   HC   _H22    47     1.08408   117.15141     5.47901
   59    55 S   CT   _C24    85     1.52770   109.04559    87.02973
   60    59 S   HC   _H28    86     1.09601   111.26474    58.85129
   61    59 S   HC   _H29    87     1.09502   111.28091   -60.94897
   62    59 S   HC   _H30    88     1.09502   110.82696   179.17457
   63    55 S   CT   _C25    89     1.53489   109.03489  -152.93537
   64    63 S   HC   _H31    90     1.09493   110.72987  -169.95946
   65    63 S   HC   _H32    91     1.09584   111.56497   -48.83268
   66    57 S   CM   _C14    48     1.34359   123.06939  -173.65208
   67    66 S   HC   _H21    49     1.08983   118.10419     0.12195
   68    63 S   OH   _O33    92     1.42315   109.72335    71.55441
   69    68 S   HO   _H33    93     0.97264   106.96883  -171.33218
   70    66 S   CM   _C12    50     1.46608   126.26048   178.96240
   71    70 S   CM   _C11    51     1.35039   118.44753  -174.07520
   72    71 S   HC   _H17    52     1.09121   118.13160     0.83181
   73    70 S   CT   _C13    74     1.50759   117.51084     4.79534
   74    73 S   HC   _H18    75     1.09573   110.49732    59.36677
   75    73 S   HC   _H19    76     1.09127   113.87814   179.33148
   76    73 S   HC   _H20    77     1.09595   110.50774   -61.06521
   77    71 S   CT   _C9_    53     1.51553   128.30440   179.52112
   78    77 S   HC   _H4_    54     1.09454   110.39289    15.45688
   79    77 S   CT   _C10    55     1.53575   108.63060   131.15794
   80    79 S   HC   _H14    56     1.09571   112.03604    61.27702
   81    79 S   HC   _H15    57     1.09541   110.62001  -178.30950
   82    79 S   HC   _H16    58     1.09603   110.81379   -59.09101
   83    77 S   CT   _C8_    59     1.55255   113.13716  -105.40061
   84    83 S   HC   _H3_    60     1.09887   107.27747  -177.90800
   85    83 S   CM   _C6_    61     1.52541   114.23097    62.21960
   86    83 S   OH   _O35    72     1.42843   110.57213   -63.75550
   87    86 S   HO   _H37    73     0.97253   107.43186  -176.33724
   88    85 S   CM   _C5_    62     1.34869   119.11742    85.17531
   89    88 S   HC   _H10    63     1.08929   118.14723    -1.24080
   90    85 S   CT   _C7_    68     1.50625   117.37133   -95.17080
   91    90 S   HC   _H11    69     1.09471   110.04752   -79.33039
   92    90 S   HC   _H12    70     1.09299   112.91478   159.52275
   93    90 S   HC   _H13    71     1.09355   111.32162    40.32409
   94    88 S   CT   _C4_    64     1.49488   127.98245   178.41736
   95    94 S   HC   _H7_    65     1.09488   109.43025  -130.50671
   96    94 S   HC   _H8_    66     1.09180   113.66034   -10.78609
   97    94 S   HC   _H9_    67     1.09412   109.76827   111.03799
  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   8   5   4   3
  14   6   2   1   1   9   4  10   6   3  11   4   4   2   1   1
   6   3  11   4   6   3  10   8   6   3   7   3   2   1   4   3
   2   9   3   1   1  10  15   5   4   2   1   1  12   8   7   3
   2   1  11   5  12   3   1   9   5   4   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    40    43    44    51    45    46    47    48  
   38    39    41    40    43    45  
   36    37  
   37  
    0  
   39    41    42    49    50    53    40    43    45  
   41    42    49    40  
   43    44    51    52    55    45    46    47    48    41  
   42    49    50    53    54    57  
   49    50    53  
   44    51    52    55    56    59    63    45    46    47    48  
   51    52    55    45  
   46    47    48    51  
   47    48  
   48  
    0  
   50    53    54    57    58    66  
   53    54    57  
   52    55    56    59    60    61    62    63    64    65    68  
   55    56    59    63  
   54    57    58    66    67    70  
   57    58    66  
   56    59    60    61    62    63    64    65    68    69  
   59    60    61    62    63    64    65    68  
   58    66    67    70    71    73  
   66    67    70  
   60    61    62    63    64    65    68  
   61    62    63  
   62    63  
   63  
   64    65    68    69  
   65    68    69  
   68    69  
   67    70    71    72    77    73    74    75    76  
   70    71    73  
   69  
    0  
   71    72    77    78    79    83    73    74    75    76  
   72    77    78    79    80    81    82    83    84    85    86    73    74    75    76  
   77    78    79    83    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84    85    88    90    86    87  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    88    89    94    90    91    92    93    86    87  
   85    88    90    86    87  
   88    89    94    95    96    97    90    91    92    93    86    87  
   87    88    90  
    0  
   89    94    95    96    97    90    91    92    93  
   94    95    96    97    90  
   91    92    93    94  
   92    93  
   93  
    0  
   95    96    97  
   96    97  
   97  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   52   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   89   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    49   380.000  1.444
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    54   340.000  1.080
   53    57   380.000  1.444
   57    58   340.000  1.080
   57    66   549.000  1.340
   66    67   340.000  1.080
   66    70   380.000  1.444
   70    71   549.000  1.340
   70    73   317.000  1.510
   71    72   340.000  1.080
   71    77   317.000  1.510
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    83   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   317.000  1.510
   83    86   320.000  1.410
   85    88   549.000  1.340
   85    90   317.000  1.510
   88    89   340.000  1.080
   88    94   317.000  1.510
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   86    87   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   40    43   465.000  1.376
   40    45   317.000  1.510
   43    44   745.000  1.250
   43    51   415.000  1.382
   51    52   434.000  1.010
   51    55   382.000  1.448
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    63   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   320.000  1.410
   68    69   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    70.00000  124.00000
   33    40    45    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    49    70.00000  123.01800
   41    38    39    35.00000  120.00000
   41    49    50    35.00000  120.00000
   41    49    53    70.00000  123.01800
   49    41    42    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    57    70.00000  123.01800
   53    49    50    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    66    70.00000  123.01800
   57    53    54    35.00000  120.00000
   57    66    67    35.00000  120.00000
   57    66    70    70.00000  123.01800
   66    57    58    35.00000  120.00000
   66    70    71    70.00000  123.01800
   66    70    73    70.00000  124.00000
   70    66    67    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    77    70.00000  124.00000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    76    35.00000  109.50000
   71    77    78    35.00000  109.50000
   71    77    79    70.00000  112.02700
   71    77    83    70.00000  112.02700
   77    71    72    35.00000  117.00000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    82    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    70.00000  112.02700
   77    83    86    50.00000  109.50000
   79    77    78    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    58.35000  112.70000
   83    85    88    70.00000  124.00000
   83    85    90    65.00000  117.92700
   83    86    87    55.00000  108.50000
   85    83    84    35.00000  109.50000
   85    88    89    35.00000  120.00000
   85    88    94    70.00000  124.00000
   85    90    91    35.00000  109.50000
   85    90    92    35.00000  109.50000
   85    90    93    35.00000  109.50000
   88    94    95    35.00000  109.50000
   88    94    96    35.00000  109.50000
   88    94    97    35.00000  109.50000
   94    88    89    35.00000  117.00000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   90    85    88    70.00000  124.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   86    83    84    35.00000  109.50000
   86    83    85    90.00000  110.39200
   73    70    71    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    43    44    65.00000  137.10300
   40    43    51    75.00000  114.40000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   43    51    52    50.00000  121.48000
   43    51    55    50.00000  121.00000
   51    43    44   105.00000  113.92000
   51    55    56    35.00000  109.50000
   51    55    59    80.00000  111.61500
   51    55    63    80.00000  111.61500
   55    51    52    35.00000  112.50000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    68    50.00000  109.50000
   59    55    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    59    58.35000  112.70000
   63    68    69    55.00000  108.50000
   65    63    64    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    35.00000  109.50000
   45    40    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   29    33    40    45   0.30250  1.0 1.0
   29    33    40    45  -0.14950 -1.0 2.0
   29    33    40    45   0.36900  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    51   7.00000 -1.0 2.0
   33    40    45    46   0.34800  1.0 3.0
   33    40    45    47   0.34800  1.0 3.0
   33    40    45    48   0.34800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    43   0.00000  1.0 1.0
   34    33    40    45   0.34800  1.0 3.0
   38    33    40    43  -0.28300  1.0 1.0
   38    33    40    43   0.26700 -1.0 2.0
   38    33    40    43  -0.63300  1.0 3.0
   38    33    40    45   0.09700  1.0 1.0
   38    33    40    45   0.15600 -1.0 2.0
   38    33    40    45  -0.50800  1.0 3.0
   38    41    49    50  -0.18600  1.0 3.0
   38    41    49    53   0.28850  1.0 1.0
   38    41    49    53   2.61350 -1.0 2.0
   38    41    49    53   0.78400  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    49   7.00000 -1.0 2.0
   41    49    53    54   7.00000 -1.0 2.0
   41    49    53    57   7.00000 -1.0 2.0
   42    41    49    50   0.00000  1.0 1.0
   42    41    49    53  -0.18600  1.0 3.0
   49    53    57    58  -0.18600  1.0 3.0
   49    53    57    66   0.28850  1.0 1.0
   49    53    57    66   2.61350 -1.0 2.0
   49    53    57    66   0.78400  1.0 3.0
   50    49    53    54   7.00000 -1.0 2.0
   50    49    53    57   7.00000 -1.0 2.0
   53    57    66    67   7.00000 -1.0 2.0
   53    57    66    70   7.00000 -1.0 2.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    66  -0.18600  1.0 3.0
   57    66    70    71   0.28850  1.0 1.0
   57    66    70    71   2.61350 -1.0 2.0
   57    66    70    71   0.78400  1.0 3.0
   57    66    70    73  -0.18600  1.0 3.0
   58    57    66    67   7.00000 -1.0 2.0
   58    57    66    70   7.00000 -1.0 2.0
   66    70    71    72   7.00000 -1.0 2.0
   66    70    71    77   7.00000 -1.0 2.0
   66    70    73    74   0.00000  1.0 1.0
   66    70    73    75   0.00000  1.0 1.0
   66    70    73    76   0.00000  1.0 1.0
   67    66    70    71  -0.18600  1.0 3.0
   67    66    70    73   0.00000  1.0 1.0
   70    71    77    78   0.00000  1.0 1.0
   70    71    77    79   0.09850  1.0 1.0
   70    71    77    79   0.15250 -1.0 2.0
   70    71    77    79  -0.50650  1.0 3.0
   70    71    77    83   0.09850  1.0 1.0
   70    71    77    83   0.15250 -1.0 2.0
   70    71    77    83  -0.50650  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    75   0.00000  1.0 1.0
   71    70    73    76   0.00000  1.0 1.0
   71    77    79    80   0.15000  1.0 3.0
   71    77    79    81   0.15000  1.0 3.0
   71    77    79    82   0.15000  1.0 3.0
   71    77    83    84   0.15000  1.0 3.0
   71    77    83    85   0.31000  1.0 1.0
   71    77    83    85   0.14700 -1.0 2.0
   71    77    83    85   0.07550  1.0 3.0
   71    77    83    86   1.05650  1.0 1.0
   71    77    83    86   0.15600 -1.0 2.0
   71    77    83    86   0.53150  1.0 3.0
   72    71    77    78   0.33100  1.0 3.0
   72    71    77    79   0.00000  1.0 1.0
   72    71    77    83   0.00000  1.0 1.0
   77    83    85    88   0.09850  1.0 1.0
   77    83    85    88   0.15250 -1.0 2.0
   77    83    85    88  -0.50650  1.0 3.0
   77    83    85    90   0.46850  1.0 1.0
   77    83    85    90   0.08550 -1.0 2.0
   77    83    85    90   0.09800  1.0 3.0
   77    83    86    87  -0.11600  1.0 1.0
   77    83    86    87  -0.09450 -1.0 2.0
   77    83    86    87   0.21250  1.0 3.0
   78    77    79    80   0.15000  1.0 3.0
   78    77    79    81   0.15000  1.0 3.0
   78    77    79    82   0.15000  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    86   0.23400  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.34400  1.0 1.0
   79    77    83    85   0.09450 -1.0 2.0
   79    77    83    85   0.11100  1.0 3.0
   79    77    83    86   0.86500  1.0 1.0
   79    77    83    86  -0.17500 -1.0 2.0
   79    77    83    86   0.20800  1.0 3.0
   83    77    79    80   0.15000  1.0 3.0
   83    77    79    81   0.15000  1.0 3.0
   83    77    79    82   0.15000  1.0 3.0
   83    85    88    89   7.00000 -1.0 2.0
   83    85    88    94   7.00000 -1.0 2.0
   83    85    90    91   0.34800  1.0 3.0
   83    85    90    92   0.34800  1.0 3.0
   83    85    90    93   0.34800  1.0 3.0
   84    83    85    88   0.00000  1.0 1.0
   84    83    85    90   0.34800  1.0 3.0
   84    83    86    87   0.19450  1.0 3.0
   85    83    86    87  -0.07800  1.0 1.0
   85    83    86    87  -0.21500 -1.0 2.0
   85    83    86    87  -0.03150  1.0 3.0
   85    88    94    95   0.00000  1.0 1.0
   85    88    94    96   0.00000  1.0 1.0
   85    88    94    97   0.00000  1.0 1.0
   88    85    90    91   0.00000  1.0 1.0
   88    85    90    92   0.00000  1.0 1.0
   88    85    90    93   0.00000  1.0 1.0
   89    88    94    95   0.33100  1.0 3.0
   89    88    94    96   0.33100  1.0 3.0
   89    88    94    97   0.33100  1.0 3.0
   90    85    88    89   7.00000 -1.0 2.0
   90    85    88    94   7.00000 -1.0 2.0
   86    83    85    88   0.67800  1.0 1.0
   86    83    85    88   0.47050 -1.0 2.0
   86    83    85    88  -0.62500  1.0 3.0
   86    83    85    90   0.18000  1.0 1.0
   86    83    85    90   0.16450 -1.0 2.0
   86    83    85    90   0.04450  1.0 3.0
   73    70    71    72   7.00000 -1.0 2.0
   73    70    71    77   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   40    43    51    52   1.00000 -1.0 2.0
   40    43    51    55  -0.54700  1.0 1.0
   40    43    51    55   1.23000 -1.0 2.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    47   0.00000  1.0 1.0
   43    40    45    48   0.00000  1.0 1.0
   43    51    55    56   0.00000  1.0 1.0
   43    51    55    59   0.25450  1.0 1.0
   43    51    55    59  -0.61700 -1.0 2.0
   43    51    55    59  -0.23550  1.0 3.0
   43    51    55    63   0.25450  1.0 1.0
   43    51    55    63  -0.61700 -1.0 2.0
   43    51    55    63  -0.23550  1.0 3.0
   44    43    51    52   1.00000 -1.0 2.0
   44    43    51    55   1.00000 -1.0 2.0
   51    55    59    60   0.22950  1.0 3.0
   51    55    59    61   0.22950  1.0 3.0
   51    55    59    62   0.22950  1.0 3.0
   51    55    63    64   0.22950  1.0 3.0
   51    55    63    65   0.22950  1.0 3.0
   51    55    63    68   4.07950  1.0 1.0
   51    55    63    68  -0.26450 -1.0 2.0
   51    55    63    68  -0.12150  1.0 3.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    59   0.00000  1.0 1.0
   52    51    55    63   0.00000  1.0 1.0
   55    63    68    69  -0.11600  1.0 1.0
   55    63    68    69  -0.09450 -1.0 2.0
   55    63    68    69   0.21250  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    62   0.15000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    68   0.23400  1.0 3.0
   59    55    63    64   0.15000  1.0 3.0
   59    55    63    65   0.15000  1.0 3.0
   59    55    63    68   0.86500  1.0 1.0
   59    55    63    68  -0.17500 -1.0 2.0
   59    55    63    68   0.20800  1.0 3.0
   63    55    59    60   0.15000  1.0 3.0
   63    55    59    61   0.15000  1.0 3.0
   63    55    59    62   0.15000  1.0 3.0
   64    63    68    69   0.19450  1.0 3.0
   65    63    68    69   0.19450  1.0 3.0
   45    40    43    44   7.00000 -1.0 2.0
   45    40    43    51   7.00000 -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
   33    39    38    41  15.00000 -1.0 2.0
   49    42    41    38  15.00000 -1.0 2.0
   41    50    49    53  15.00000 -1.0 2.0
   57    54    53    49  15.00000 -1.0 2.0
   53    58    57    66  15.00000 -1.0 2.0
   70    67    66    57  15.00000 -1.0 2.0
   66    73    70    71  15.00000 -1.0 2.0
   77    72    71    70  15.00000 -1.0 2.0
   83    90    85    88  15.00000 -1.0 2.0
   94    89    88    85  15.00000 -1.0 2.0
   33    45    40    43  15.00000 -1.0 2.0
   51    44    43    40  15.00000 -1.0 2.0
   52    43    51    55   1.00000 -1.0 2.0
END
