REMARK  Name = BDB062932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.213   0.216   1.694  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -1.177   0.343   1.247  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.376   0.824  -0.059  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -0.476   1.412  -0.662  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.863   1.059   2.304  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -0.835   2.084   2.796  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.523   1.595   2.265  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.791   0.623  -0.679  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -2.673   0.531  -2.225  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -4.032   0.975  -2.748  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -4.498   2.047  -1.773  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -3.574   1.956  -0.555  0.00  0.00    +0.021 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.501  -0.640  -0.151  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -2.845  -1.887  -0.244  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -3.449  -3.056   0.222  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -2.619  -4.558   0.102  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -4.720  -3.015   0.785  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -5.388  -1.798   0.881  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.785  -0.623   0.418  0.00  0.00    +0.005 A 
ENDBRANCH   8  13
ENDBRANCH   3   8
BRANCH   1  22
ATOM     20  N   LIG    1        2.511  -0.056   0.841  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        2.693   0.698   1.488  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        1.192  -0.460   0.696  0.00  0.00    +0.238 C 
ATOM     23  O   LIG    1        0.798  -1.350  -0.058  0.00  0.00    -0.273 OA
BRANCH  20  31
ATOM     24  O   LIG    1        9.334  -0.766  -1.393  0.00  0.00    -0.275 OA
ATOM     25  C   LIG    1        8.143  -0.773  -1.132  0.00  0.00    +0.222 C 
ATOM     26  N   LIG    1        7.186  -1.595  -1.713  0.00  0.00    -0.285 N 
ATOM     27  H   LIG    1        7.406  -2.276  -2.425  0.00  0.00    +0.155 HD
ATOM     28  C   LIG    1        5.928  -1.349  -1.190  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        6.005  -0.344  -0.232  0.00  0.00    -0.016 A 
ATOM     30  C   LIG    1        4.871   0.082   0.438  0.00  0.00    +0.029 A 
ATOM     31  C   LIG    1        3.639  -0.522   0.130  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1        3.588  -1.538  -0.845  0.00  0.00    +0.025 A 
ATOM     33  C   LIG    1        4.742  -1.962  -1.518  0.00  0.00    +0.025 A 
ATOM     34  C   LIG    1        7.427   0.116  -0.108  0.00  0.00    +0.133 C 
ENDBRANCH  20  31
ENDBRANCH   1  22
TORSDOF 4