REMARK  Name = BDB002542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.454   0.995  -0.663  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1   6
ATOM      2  O   LIG    1        2.761   1.606   0.781  0.00  0.00    -0.253 OA
ATOM      3  C   LIG    1        2.877   1.028  -0.297  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1        4.118   0.777  -0.798  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        4.830   1.272  -0.274  0.00  0.00    +0.156 HD
ATOM      6  N   LIG    1        1.811   0.666  -1.063  0.00  0.00    -0.298 N 
ATOM      7  H   LIG    1        2.005   0.729  -2.053  0.00  0.00    +0.150 HD
BRANCH   4   8
ATOM      8  C   LIG    1        4.574  -0.073  -1.823  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.816  -1.103  -2.386  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        4.355  -1.911  -3.393  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        5.660  -1.705  -3.835  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        6.432  -0.700  -3.262  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        5.894   0.106  -2.255  0.00  0.00    +0.023 A 
ENDBRANCH   4   8
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  C   LIG    1       -0.015   0.247   0.592  0.00  0.00    +0.135 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -1.456   0.346   0.768  0.00  0.00    -0.240 N 
ATOM     16  C   LIG    1       -2.337  -0.531   0.200  0.00  0.00    +0.226 C 
ATOM     17  O   LIG    1       -2.058  -1.494  -0.498  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -3.737  -0.129   0.569  0.00  0.00    +0.095 C 
ATOM     19  C   LIG    1       -3.552   1.157   1.413  0.00  0.00    +0.095 C 
ATOM     20  C   LIG    1       -4.148   0.762   2.780  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -3.761  -0.719   2.895  0.00  0.00    +0.016 C 
ATOM     22  C   LIG    1       -5.637   0.574   2.569  0.00  0.00    -0.027 C 
ATOM     23  C   LIG    1       -5.797  -0.542   1.837  0.00  0.00    -0.027 C 
ATOM     24  C   LIG    1       -4.415  -1.097   1.560  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -2.064   1.366   1.447  0.00  0.00    +0.226 C 
ATOM     26  O   LIG    1       -1.515   2.304   2.003  0.00  0.00    -0.275 OA
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 4