REMARK  Name = BDB029464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.343  -0.327   1.205  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -5.195  -0.326   0.771  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -4.556  -1.500   0.469  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -5.083  -2.316   0.757  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.196  -1.669   0.536  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.715  -2.731   0.918  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.368  -0.468   0.117  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.879  -0.659   0.447  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -0.173   0.089  -0.586  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1        1.166   0.437  -0.604  0.00  0.00    +0.220 C 
ATOM     11  O   LIG    1        1.633   1.102  -1.528  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -1.048   0.436  -1.689  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -2.330  -0.339  -1.418  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.940   0.774   0.820  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -4.425   0.950   0.527  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        1.991  -0.030   0.591  0.00  0.00    +0.131 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.484   0.125   0.420  0.00  0.00    -0.039 A 
ATOM     18  C   LIG    1        4.249  -0.918  -0.119  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        5.629  -0.774  -0.279  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.254   0.415   0.093  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.501   1.462   0.619  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.122   1.320   0.780  0.00  0.00    +0.004 A 
ENDBRANCH  16  17
ENDBRANCH  10  16
TORSDOF 2