REMARK  Name = BDB001389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.040  -0.458  -0.926  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1        0.316  -0.912  -1.228  0.00  0.00    -0.257 N 
ATOM      3  C   LIG    1        0.423  -2.289  -1.241  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        1.399  -2.971  -1.490  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -0.900  -2.831  -0.913  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -1.293  -4.151  -0.799  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -2.631  -4.398  -0.486  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.533  -3.334  -0.301  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.112  -2.005  -0.424  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -1.780  -1.765  -0.731  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -1.645   0.342  -2.094  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.260   1.591  -1.885  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.815   2.308  -2.947  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -2.771   1.791  -4.239  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -2.173   0.556  -4.471  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -1.617  -0.163  -3.410  0.00  0.00    +0.008 A 
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  O   LIG    1       -1.035   0.352   0.255  0.00  0.00    -0.348 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.675  -0.279   1.483  0.00  0.00    +0.163 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -0.201   0.228   3.906  0.00  0.00    +0.006 C 
ATOM     20  C   LIG    1       -0.657   0.789   2.571  0.00  0.00    +0.025 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  21
ATOM     21  C   LIG    1        1.401  -0.021  -1.595  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.189   0.481  -0.411  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.065  -0.369   0.275  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        3.781   0.095   1.380  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        3.638   1.413   1.819  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        2.773   2.267   1.136  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        2.052   1.803   0.030  0.00  0.00    +0.009 A 
BRANCH  25  28
ATOM     28  O   LIG    1        4.390   1.736   2.915  0.00  0.00    -0.495 OA
ATOM     29  C   LIG    1        4.268   3.063   3.408  0.00  0.00    +0.277 C 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 7