REMARK  Name = BDB031346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.444   1.334  -1.799  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.196   0.597  -0.854  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1        0.046   0.130  -0.461  0.00  0.00    -0.281 N 
ATOM      4  H   LIG    1        0.095  -0.354   0.425  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.328   0.171   0.017  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -3.363   1.092   0.243  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -4.396   0.672   1.046  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1       -4.434  -0.605   1.605  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1       -5.601  -0.709   2.353  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -5.929  -1.506   2.874  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -6.304   0.502   2.265  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1       -7.369   0.763   2.793  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1       -3.445  -1.534   1.387  0.00  0.00    +0.028 A 
ATOM     14  N   LIG    1       -5.540   1.351   1.450  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -5.812   2.290   1.209  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -2.376  -1.135   0.573  0.00  0.00    +0.015 A 
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        1.281   0.337  -1.114  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        2.433  -0.157  -0.481  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        3.708  -0.007  -1.054  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        3.808   0.650  -2.286  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        2.670   1.141  -2.926  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        1.412   0.983  -2.342  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  C   LIG    1        4.890  -0.526  -0.376  0.00  0.00    +0.155 A 
ATOM     24  O   LIG    1        6.099  -0.368  -1.008  0.00  0.00    -0.442 OA
ATOM     25  C   LIG    1        6.997  -0.937  -0.159  0.00  0.00    +0.308 A 
ATOM     26  N   LIG    1        6.486  -1.438   0.942  0.00  0.00    -0.224 NA
ATOM     27  C   LIG    1        5.145  -1.179   0.812  0.00  0.00    +0.160 A 
ENDBRANCH  19  23
ENDBRANCH   3  17
TORSDOF 3