REMARK  Name = BDB012403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.747  -0.740  -0.515  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1       -0.098  -1.698  -1.066  0.00  0.00    +0.217 A 
ATOM      3  C   LIG    1       -1.377  -1.262  -0.825  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.237  -0.040  -0.128  0.00  0.00    +0.070 A 
ATOM      5  N   LIG    1        0.050   0.277   0.062  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.279   0.203   0.045  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        2.885   0.264   0.071  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.177  -0.772  -0.525  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        2.784  -1.839  -1.130  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        4.135  -1.861  -1.135  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.918  -0.875  -0.567  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        6.340   1.268   0.664  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.124   1.258   0.651  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        4.405   2.244   1.210  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.076   2.864   1.568  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -2.314   0.868   0.387  0.00  0.00    +0.040 C 
ATOM     17  C   LIG    1       -3.137   0.227   1.520  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -4.584   0.596   1.223  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -4.639   0.597  -0.294  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1       -3.336   1.276  -0.691  0.00  0.00    +0.010 C 
ENDBRANCH   4  16
BRANCH   2  21
ATOM     21  O   LIG    1        0.320  -2.801  -1.692  0.00  0.00    -0.492 OA
ATOM     22  H   LIG    1        1.304  -2.793  -1.683  0.00  0.00    +0.294 HD
ENDBRANCH   2  21
TORSDOF 5