REMARK  Name = BDB064253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.312  -0.571  -2.221  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.111   0.321  -1.405  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1       -2.123   1.062  -0.827  0.00  0.00    -0.297 N 
ATOM      4  H   LIG    1       -1.870   1.870  -0.273  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.279   0.675  -1.012  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        1.308   0.444  -1.933  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        2.630   0.757  -1.607  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        2.941   1.298  -0.352  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        1.909   1.508   0.574  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.585   1.196   0.251  0.00  0.00    +0.013 A 
BRANCH   8  11
ATOM     11  C   LIG    1        4.372   1.615   0.017  0.00  0.00    +0.142 C 
BRANCH  11  12
ATOM     12  N   LIG    1        4.957   0.608   0.880  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1        4.905   0.672   2.265  0.00  0.00    +0.216 C 
ATOM     14  O   LIG    1        4.512   1.610   2.939  0.00  0.00    -0.276 OA
ATOM     15  C   LIG    1        5.364  -0.661   2.806  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1        6.011  -1.323   1.595  0.00  0.00    +0.028 C 
ATOM     17  C   LIG    1        5.267  -0.722   0.420  0.00  0.00    +0.108 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1       -3.575   0.832  -1.155  0.00  0.00    +0.106 C 
ATOM     19  C   LIG    1       -4.361   2.183  -1.178  0.00  0.00    +0.192 C 
ATOM     20  O   LIG    1       -4.842   1.938  -2.520  0.00  0.00    -0.375 OA
ATOM     21  C   LIG    1       -3.876   0.867  -2.687  0.00  0.00    +0.192 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -4.268  -0.361  -0.292  0.00  0.00    -0.020 A 
ATOM     23  C   LIG    1       -3.560  -1.130   0.658  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -4.168  -2.151   1.400  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -5.514  -2.435   1.210  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -6.265  -3.687   2.119  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -6.252  -1.709   0.285  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -5.634  -0.692  -0.451  0.00  0.00    +0.007 A 
ENDBRANCH  18  22
ENDBRANCH   3  18
TORSDOF 5