REMARK  Name = BDB023993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.836   4.506  -0.559  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.402   4.102  -0.782  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.120   2.742  -0.832  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.717   2.392  -1.130  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -2.455   0.961  -0.815  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.242   0.221  -0.765  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.483  -1.052  -0.407  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.812  -1.123  -0.208  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1       -3.437   0.058  -0.467  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.878   0.384  -0.353  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.149   1.711  -1.093  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.530   4.963  -0.906  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.123   0.672  -1.024  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        1.163   0.259  -0.180  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        2.478   0.675  -0.418  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        2.759   1.528  -1.493  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        1.729   1.936  -2.341  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        0.420   1.504  -2.112  0.00  0.00    +0.010 A 
BRANCH  15  19
ATOM     19  C   LIG    1        3.549   0.216   0.506  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        4.738  -0.123  -0.116  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        4.736  -0.133  -1.127  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        3.298   0.149   1.703  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.932  -0.552   0.504  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        6.116  -0.613   1.882  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        7.341  -1.046   2.383  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        7.559  -1.121   3.865  0.00  0.00    +0.065 C 
ATOM     27  N   LIG    1        8.372  -1.410   1.585  0.00  0.00    -0.260 NA
ATOM     28  C   LIG    1        8.173  -1.341   0.254  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1        6.988  -0.923  -0.328  0.00  0.00    +0.043 A 
ENDBRANCH  20  23
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.407  -2.360   0.234  0.00  0.00    +0.135 C 
ATOM     31  C   LIG    1       -3.344  -3.476  -0.792  0.00  0.00    +0.186 C 
ATOM     32  O   LIG    1       -3.526  -4.702  -0.061  0.00  0.00    -0.378 OA
ATOM     33  C   LIG    1       -3.273  -4.437   1.328  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -2.755  -3.018   1.434  0.00  0.00    +0.057 C 
ENDBRANCH   8  30
TORSDOF 4