REMARK  Name = BDB002743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.427  -0.981  -0.208  0.00  0.00    +0.074 C 
ATOM      2  C   LIG    1       -1.523  -0.017   0.589  0.00  0.00    +0.096 C 
ATOM      3  N   LIG    1       -0.077  -0.264   0.431  0.00  0.00    -0.293 NA
ATOM      4  C   LIG    1        0.237  -0.838  -0.878  0.00  0.00    +0.085 C 
ATOM      5  C   LIG    1       -0.389  -2.233  -1.006  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1       -1.754  -2.352  -0.323  0.00  0.00    +0.014 C 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -4.149  -2.092   1.074  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -3.799  -1.087   0.456  0.00  0.00    +0.169 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.749   0.058   0.383  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1       -4.600   1.121  -0.498  0.00  0.00    +0.122 A 
ATOM     11  N   LIG    1       -5.449   2.176  -0.567  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1       -6.507   2.164   0.273  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -6.754   1.147   1.179  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -5.860   0.079   1.232  0.00  0.00    +0.014 A 
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1        0.699   0.955   0.732  0.00  0.00    +0.183 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.159   0.709   0.922  0.00  0.00    +0.242 A 
ATOM     17  O   LIG    1        2.560   0.309   2.161  0.00  0.00    -0.336 OA
ATOM     18  N   LIG    1        3.943   0.161   2.103  0.00  0.00    -0.054 NA
ATOM     19  C   LIG    1        4.251   0.477   0.833  0.00  0.00    +0.222 A 
ATOM     20  N   LIG    1        3.153   0.836   0.069  0.00  0.00    -0.189 NA
BRANCH  19  21
ATOM     21  C   LIG    1        5.606   0.458   0.288  0.00  0.00    +0.129 A 
ATOM     22  N   LIG    1        6.637   0.123   1.112  0.00  0.00    -0.249 NA
ATOM     23  C   LIG    1        7.868   0.122   0.550  0.00  0.00    +0.131 A 
ATOM     24  C   LIG    1        8.080   0.440  -0.780  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1        7.069   0.776  -1.612  0.00  0.00    -0.260 NA
ATOM     26  C   LIG    1        5.832   0.776  -1.048  0.00  0.00    +0.142 A 
ENDBRANCH  19  21
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 5