REMARK  Name = BDB021903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.329   0.915   0.704  0.00  0.00    -0.237 N 
ATOM      2  H   LIG    1       -3.089   1.629   1.367  0.00  0.00    +0.159 HD
ATOM      3  C   LIG    1       -2.375   0.431  -0.149  0.00  0.00    +0.306 C 
ATOM      4  N   LIG    1       -1.108   0.815   0.268  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1       -1.007   0.936   1.265  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1       -2.549  -0.235  -1.161  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -7.969   1.338   1.804  0.00  0.00    +0.088 C 
ATOM      8  C   LIG    1       -6.694   0.930   1.175  0.00  0.00    +0.126 A 
ATOM      9  N   LIG    1       -6.588   0.018   0.162  0.00  0.00    -0.251 N 
ATOM     10  C   LIG    1       -7.627  -0.726  -0.500  0.00  0.00    +0.174 C 
ATOM     11  N   LIG    1       -5.308  -0.169  -0.189  0.00  0.00    -0.133 NA
ATOM     12  C   LIG    1       -4.668   0.676   0.617  0.00  0.00    +0.242 A 
ATOM     13  N   LIG    1       -5.486   1.359   1.478  0.00  0.00    -0.199 NA
ENDBRANCH   1  12
BRANCH   4  14
ATOM     14  C   LIG    1        0.079   0.350  -0.443  0.00  0.00    +0.077 C 
ATOM     15  C   LIG    1        1.269   1.259  -0.143  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        2.538   0.739  -0.817  0.00  0.00    +0.086 C 
ATOM     17  N   LIG    1        2.828  -0.642  -0.401  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        1.714  -1.537  -0.753  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        0.418  -1.097  -0.078  0.00  0.00    +0.038 C 
BRANCH  17  20
ATOM     20  C   LIG    1        4.078  -1.136  -1.014  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.321  -0.449  -0.487  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1        6.212   0.187  -1.363  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        7.365   0.805  -0.875  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.640   0.793   0.491  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.764   0.161   1.372  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.612  -0.458   0.886  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   4  14
TORSDOF 4