REMARK  Name = BDB003871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.861   0.681   0.737  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -0.202  -0.323   0.646  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -1.460   0.448   0.158  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -1.766   0.078  -1.297  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -0.906  -0.293  -2.094  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.032   0.322  -1.752  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -2.937   0.356  -2.765  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -3.943  -0.683  -1.587  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.402  -1.259  -2.572  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.440  -0.988  -0.192  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -3.369  -1.098   0.883  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -2.657   0.233   1.102  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -1.025   1.929   0.208  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1        0.484   1.883   0.005  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        4.881  -0.374   0.568  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        4.391   0.820   0.075  0.00  0.00    +0.124 A 
ATOM     17  N   LIG    1        3.081   1.168   0.125  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1        2.194   0.305   0.671  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.633  -0.910   1.203  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1        3.985  -1.260   1.149  0.00  0.00    +0.016 A 
BRANCH  15  22
ATOM     21  O   LIG    1        7.121   0.079  -0.011  0.00  0.00    -0.296 OA
ATOM     22  C   LIG    1        6.312  -0.693   0.488  0.00  0.00    +0.260 C 
ENDBRANCH  15  22
ENDBRANCH   1  18
TORSDOF 2