REMARK  Name = BDB002994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.039   1.450  -0.440  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        2.074   0.694   0.521  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        0.947   0.366   1.254  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1        0.963  -0.557   1.662  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        3.186   0.073   1.046  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        3.062  -0.314   1.970  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        4.501   0.087   0.540  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        5.498  -0.490   1.341  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        6.794  -0.498   0.866  0.00  0.00    +0.168 A 
ATOM     10  O   LIG    1        7.873  -1.013   1.514  0.00  0.00    -0.453 OA
ATOM     11  C   LIG    1        8.919  -0.739   0.558  0.00  0.00    +0.466 C 
ATOM     12  O   LIG    1        8.448  -0.078  -0.634  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        7.122   0.034  -0.357  0.00  0.00    +0.166 A 
ATOM     14  C   LIG    1        6.171   0.602  -1.172  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1        4.846   0.625  -0.715  0.00  0.00    +0.027 A 
ENDBRANCH   5   7
BRANCH   3  16
ATOM     16  C   LIG    1       -0.368   0.853   0.847  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1       -1.335   0.819   2.028  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -2.736   1.248   1.597  0.00  0.00    +0.086 C 
ATOM     19  N   LIG    1       -3.235   0.401   0.504  0.00  0.00    -0.298 NA
ATOM     20  C   LIG    1       -2.347   0.484  -0.668  0.00  0.00    +0.086 C 
ATOM     21  C   LIG    1       -0.929   0.035  -0.317  0.00  0.00    +0.038 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.616   0.791   0.157  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.313  -0.201  -0.751  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1       -5.451  -1.544  -0.367  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -6.106  -2.456  -1.195  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.634  -2.036  -2.414  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.507  -0.704  -2.806  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.851   0.210  -1.978  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   3  16
TORSDOF 4