REMARK  Name = BDB001990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.254   0.704  -0.601  0.00  0.00    -0.314 N 
ATOM      2  H   LIG    1       -1.520   1.532  -1.127  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.293  -0.184  -0.362  0.00  0.00    +0.043 C 
ATOM      4  C   LIG    1       -3.624   0.412  -0.036  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -4.787  -0.375   0.014  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -6.043   0.188   0.287  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -6.157   1.551   0.540  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -5.017   2.347   0.531  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.699  -1.831  -0.196  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1       -5.697  -2.530  -0.284  0.00  0.00    -0.283 OA
ATOM     11  C   LIG    1       -3.315  -2.440  -0.294  0.00  0.00    +0.228 C 
ATOM     12  O   LIG    1       -3.143  -3.649  -0.250  0.00  0.00    -0.284 OA
ATOM     13  C   LIG    1       -3.766   1.783   0.252  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -2.180  -1.519  -0.465  0.00  0.00    +0.078 C 
ENDBRANCH   1   3
BRANCH   1  18
ATOM     15  C   LIG    1        2.938   0.139  -0.380  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        2.376   1.023  -1.307  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        0.989   1.204  -1.362  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        0.135   0.508  -0.495  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        0.708  -0.373   0.430  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        2.095  -0.559   0.491  0.00  0.00    +0.017 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.418  -0.016  -0.362  0.00  0.00    +0.339 C 
ATOM     22  O   LIG    1        5.166   0.602  -1.103  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        4.792  -0.919   0.578  0.00  0.00    -0.461 OA
BRANCH  23  25
ATOM     24  C   LIG    1        6.833  -0.152   1.631  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        6.202  -1.159   0.688  0.00  0.00    +0.229 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 5