REMARK  Name = BDB018247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.943  -1.218   1.678  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -1.099  -1.892   0.679  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.575  -3.024   0.122  0.00  0.00    +0.101 A 
ATOM      4  N   LIG    1       -2.801  -3.570   0.460  0.00  0.00    -0.317 N 
ATOM      5  C   LIG    1       -3.214  -4.803  -0.191  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -3.632  -2.989   1.407  0.00  0.00    +0.255 A 
ATOM      7  O   LIG    1       -4.723  -3.430   1.757  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -3.135  -1.735   2.022  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.186  -1.377   0.298  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.671  -1.244  -0.985  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        1.920  -0.688  -0.869  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1        2.293  -0.497   0.417  0.00  0.00    -0.178 NA
ATOM     13  C   LIG    1        1.230  -0.899   1.119  0.00  0.00    +0.143 A 
BRANCH  11  14
ATOM     14  C   LIG    1        2.808  -0.329  -1.981  0.00  0.00    +0.134 C 
ATOM     15  C   LIG    1        4.297  -0.383  -1.623  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     16  C   LIG    1        2.420   1.019  -2.570  0.00  0.00    -0.023 A 
ATOM     17  C   LIG    1        2.102   1.125  -3.934  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        1.752   2.358  -4.489  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        1.718   3.499  -3.690  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.035   3.411  -2.337  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        2.386   2.180  -1.780  0.00  0.00    +0.006 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   2   9
BRANCH   1  22
ATOM     22  O   LIG    1       -1.409  -0.046   2.172  0.00  0.00    -0.491 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.217   0.773   3.018  0.00  0.00    +0.232 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -1.123   2.865   2.100  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -1.465   2.069   3.361  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -0.192   1.781   4.158  0.00  0.00    +0.010 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 6