REMARK  Name = BDB053385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.513  -1.637   1.054  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -0.601  -1.976  -0.154  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -0.606  -3.478  -0.485  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1       -0.836  -4.330   0.683  0.00  0.00    -0.315 NA
ATOM      5  H   LIG    1       -0.086  -4.159   1.360  0.00  0.00    +0.122 HD
ATOM      6  C   LIG    1       -2.125  -4.065   1.329  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1       -2.668  -2.645   1.131  0.00  0.00    +0.024 C 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -3.175   3.878   0.667  0.00  0.00    +0.152 C 
ATOM      9  N   LIG    1       -2.751   2.494   0.810  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.793   2.171   1.768  0.00  0.00    +0.251 A 
ATOM     11  O   LIG    1       -1.238   2.975   2.511  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1       -1.421   0.732   1.850  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1       -1.954  -0.179   1.016  0.00  0.00    -0.037 A 
ATOM     14  C   LIG    1       -2.936   0.257   0.041  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -3.298   1.544  -0.031  0.00  0.00    +0.089 A 
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  C   LIG    1        0.835  -1.523   0.117  0.00  0.00    +0.221 C 
ATOM     17  N   LIG    1        1.553  -0.955  -0.937  0.00  0.00    -0.294 N 
ATOM     18  O   LIG    1        1.338  -1.691   1.232  0.00  0.00    -0.275 OA
BRANCH  17  19
ATOM     19  C   LIG    1        1.048  -0.824  -2.284  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1        1.442   0.303  -3.208  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1        0.058   0.256  -2.645  0.00  0.00    +0.024 C 
ENDBRANCH  17  19
BRANCH  17  22
ATOM     22  C   LIG    1        2.963  -0.616  -0.701  0.00  0.00    +0.144 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.222   0.795  -0.195  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1        4.529   1.332  -0.197  0.00  0.00    +0.064 A 
ATOM     25 CL   LIG    1        5.851   0.383  -0.809  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        4.765   2.627   0.299  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1        6.339   3.348   0.312  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        3.713   3.389   0.812  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        2.425   2.867   0.835  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        2.185   1.585   0.338  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   2  16
TORSDOF 5