REMARK  Name = BDB031622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.276   0.118  -0.596  0.00  0.00    -0.304 N 
ATOM      2  H   LIG    1        0.144  -0.808  -0.652  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.575   1.198  -0.531  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1        0.234   2.297  -0.105  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.617  -0.782  -0.026  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.434  -0.465   0.046  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.474  -1.390   0.371  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -3.812  -2.340   0.453  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.125  -1.260   0.154  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -1.389  -2.245   0.100  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -1.603   0.173   0.003  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.588   0.973  -0.842  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.958   0.951  -0.182  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.983   0.915  -1.022  0.00  0.00    +0.132 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.829   0.253   0.029  0.00  0.00    -0.021 A 
ATOM     16  C   LIG    1        3.133   0.909   1.219  0.00  0.00    +0.114 A 
ATOM     17  N   LIG    1        3.880   0.372   2.209  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1        4.351  -0.877   2.007  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        4.109  -1.613   0.860  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.336  -1.037  -0.144  0.00  0.00    +0.007 A 
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 3