REMARK  Name = BDB021931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.816   1.425   0.241  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -2.822   0.202   0.247  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1       -1.755  -0.550   0.707  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1       -1.650  -1.447   0.256  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1       -3.846  -0.620  -0.162  0.00  0.00    -0.268 N 
ATOM      6  H   LIG    1       -3.777  -1.588   0.120  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -5.077  -0.252  -0.755  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -6.051  -1.249  -0.953  0.00  0.00    +0.062 A 
ATOM      9 CL   LIG    1       -5.760  -2.889  -0.474  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1       -7.282  -0.946  -1.541  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -7.556   0.359  -1.943  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -6.598   1.354  -1.759  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.365   1.051  -1.170  0.00  0.00    +0.025 A 
ENDBRANCH   5   7
BRANCH   3  14
ATOM     14  C   LIG    1       -0.515   0.103   1.126  0.00  0.00    +0.077 C 
ATOM     15  C   LIG    1        0.303   0.546  -0.095  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        1.791   0.599   0.241  0.00  0.00    +0.086 C 
ATOM     17  N   LIG    1        2.323  -0.730   0.591  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        1.359  -1.584   1.298  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        0.291  -0.806   2.062  0.00  0.00    +0.038 C 
BRANCH  17  20
ATOM     20  C   LIG    1        3.600  -0.630   1.319  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.709   0.017   0.515  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1        5.331   1.190   0.968  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        6.360   1.776   0.228  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.778   1.198  -0.969  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.169   0.032  -1.429  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.141  -0.556  -0.691  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   3  14
TORSDOF 4