REMARK  Name = BDB023942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.275  -5.132   1.925  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.102  -4.238   2.235  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.926  -3.115   1.437  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.714  -2.318   1.704  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.826  -0.971   1.081  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.965   0.152   1.156  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.433   1.161   0.406  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.584   0.704  -0.132  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.845  -0.584   0.234  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.983  -1.460  -0.139  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.586  -2.929   0.126  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.351  -4.508   3.172  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.280   0.280   1.907  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.530   0.484   1.259  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.699   0.572   2.036  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.936   0.759   1.399  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        4.024   0.844   0.009  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.912   0.776  -0.746  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        2.614   0.472   3.435  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.386   0.281   4.066  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.717   0.604  -0.125  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        0.224   0.184   3.306  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        5.259   1.041  -0.604  0.00  0.00    -0.312 N 
ATOM     24  C   LIG    1        5.280   1.222  -2.064  0.00  0.00    +0.072 C 
ATOM     25  C   LIG    1        4.941   2.652  -2.461  0.00  0.00    +0.028 C 
ATOM     26  C   LIG    1        6.726   0.871  -2.434  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1        7.034  -0.270  -1.482  0.00  0.00    +0.021 C 
ATOM     28  C   LIG    1        6.364   0.171  -0.182  0.00  0.00    +0.107 C 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -3.318   1.602  -1.014  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -4.786   1.793  -0.621  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -5.461   2.736  -1.605  0.00  0.00    +0.162 C 
ATOM     32  O   LIG    1       -5.324   2.239  -2.936  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -3.961   2.183  -3.357  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -3.176   1.213  -2.488  0.00  0.00    +0.055 C 
ENDBRANCH   8  29
TORSDOF 3