REMARK  Name = BDB062162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.610  -0.896   1.326  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1        2.502  -0.295   0.750  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        1.485   0.245   1.645  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        0.670   1.339   0.966  0.00  0.00    +0.042 C 
ATOM      5  C   LIG    1       -0.081   0.825  -0.296  0.00  0.00    +0.095 C 
ATOM      6  C   LIG    1        0.688  -0.370  -0.934  0.00  0.00    +0.042 C 
ATOM      7  C   LIG    1        2.193  -0.315  -0.680  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1        3.727  -1.092   2.533  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.524   0.330  -0.044  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1       -2.379   0.099  -1.141  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -3.682  -0.375  -0.964  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.166  -0.653   0.315  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -5.575  -1.127   0.512  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -3.332  -0.428   1.412  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.027   0.048   1.235  0.00  0.00    +0.005 A 
ENDBRANCH   5   9
BRANCH   1  17
ATOM     16  C   LIG    1        5.354  -0.513  -0.384  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1        4.704  -1.352   0.433  0.00  0.00    +0.060 C 
ENDBRANCH   1  17
BRANCH   5  18
ATOM     18  C   LIG    1       -0.116   2.050  -1.230  0.00  0.00    +0.315 C 
ATOM     19  O   LIG    1       -0.856   3.018  -1.133  0.00  0.00    -0.250 OA
BRANCH  18  20
ATOM     20  O   LIG    1        0.820   2.045  -2.201  0.00  0.00    -0.480 OA
ATOM     21  H   LIG    1        0.670   2.899  -2.663  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 4