REMARK  Name = BDB056429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.770  -0.388   0.013  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.253  -0.413   0.969  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -1.565  -0.089   0.611  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -1.863   0.243  -0.713  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -0.845   0.264  -1.670  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        0.468  -0.060  -1.315  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.283  -1.570   1.338  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.153  -0.745   0.443  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        3.162  -0.056  -0.206  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1        2.885   0.692  -0.827  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        4.554  -0.215  -0.035  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        5.135  -1.186   0.781  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        6.526  -1.281   0.891  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        7.348  -0.407   0.184  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.780   0.563  -0.636  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.390   0.657  -0.746  0.00  0.00    +0.023 A 
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   4  17
ATOM     17  O   LIG    1       -3.115   0.596  -1.172  0.00  0.00    -0.452 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -4.198   0.098  -0.494  0.00  0.00    +0.175 A 
ATOM     19  C   LIG    1       -4.957   0.927   0.329  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1       -6.079   0.461   1.000  0.00  0.00    +0.181 A 
ATOM     21  N   LIG    1       -6.645   1.449   1.756  0.00  0.00    -0.216 NA
ATOM     22  C   LIG    1       -5.896   2.509   1.552  0.00  0.00    +0.199 A 
ATOM     23  N   LIG    1       -6.527  -0.809   0.900  0.00  0.00    -0.233 NA
ATOM     24  C   LIG    1       -5.800  -1.595   0.068  0.00  0.00    +0.137 A 
ATOM     25  N   LIG    1       -4.864   2.244   0.694  0.00  0.00    -0.340 N 
ATOM     26  H   LIG    1       -4.157   2.898   0.387  0.00  0.00    +0.167 HD
ATOM     27  C   LIG    1       -4.667  -1.208  -0.643  0.00  0.00    +0.103 A 
ATOM     28 CL   LIG    1       -3.899  -2.342  -1.688  0.00  0.00    -0.078 Cl
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 4