REMARK  Name = BDB003398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.288   0.184   0.289  0.00  0.00    +0.106 A 
ATOM      2  N   LIG    1        0.624   1.038  -0.743  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.100   1.650  -1.096  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        1.854   1.177  -1.337  0.00  0.00    +0.258 A 
ATOM      5  O   LIG    1        2.052   1.970  -2.252  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        2.936   0.318  -0.812  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        2.638  -0.553   0.240  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1        3.650  -1.373   0.751  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        4.939  -1.317   0.213  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.226  -0.443  -0.838  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.224   0.377  -1.354  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        1.277  -0.591   0.784  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.026   0.184   0.788  0.00  0.00    -0.287 N 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.137   0.593  -0.003  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -2.310   0.107  -1.310  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -3.396   0.509  -2.091  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.328   1.407  -1.578  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.172   1.905  -0.287  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.085   1.501   0.493  0.00  0.00    +0.023 A 
ENDBRANCH  13  14
BRANCH  13  21
ATOM     20  C   LIG    1       -1.831  -1.939   1.795  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -1.433  -0.488   2.039  0.00  0.00    +0.109 C 
ENDBRANCH  13  21
ENDBRANCH   1  13
TORSDOF 3