REMARK  Name = BDB003938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.518   1.265   0.626  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.321   0.875   0.055  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -0.938   1.480   0.468  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -2.019   0.423   0.131  0.00  0.00    +0.064 C 
ATOM      5  C   LIG    1       -3.335   1.139  -0.172  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -3.475   2.356  -0.043  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1       -4.423   0.409  -0.574  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -5.181   1.085  -0.629  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -4.883  -0.658   0.154  0.00  0.00    +0.219 C 
ATOM     10  O   LIG    1       -5.952  -0.606   0.754  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.027  -1.895   0.125  0.00  0.00    +0.096 C 
ATOM     12  C   LIG    1       -2.849  -1.872   1.081  0.00  0.00    +0.010 C 
ATOM     13  C   LIG    1       -2.191  -0.518   1.341  0.00  0.00    +0.018 C 
ATOM     14  C   LIG    1       -1.395  -0.226  -1.118  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1        0.098  -0.265  -0.815  0.00  0.00    +0.109 C 
ATOM     16  O   LIG    1        1.609   2.128   1.493  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        5.122  -0.693  -0.581  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        4.394   0.069  -1.500  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        3.224   0.728  -1.114  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        2.749   0.578   0.191  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.445  -0.208   1.110  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        4.613  -0.863   0.712  0.00  0.00    +0.023 A 
BRANCH  17  23
ATOM     23  N   LIG    1        6.221  -1.448  -1.008  0.00  0.00    -0.358 N 
ATOM     24  H   LIG    1        6.709  -1.047  -1.803  0.00  0.00    +0.142 HD
ATOM     25  H   LIG    1        6.858  -1.702  -0.259  0.00  0.00    +0.142 HD
ENDBRANCH  17  23
ENDBRANCH   1  20
TORSDOF 2