REMARK  Name = BDB009576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.399   0.399  -0.262  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1       -0.503  -0.770  -0.269  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.980  -0.470   0.116  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -2.441   0.862  -0.487  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -1.503   2.004  -0.108  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -0.036   1.713  -0.399  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        0.745   2.638  -0.629  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.458  -1.533  -1.600  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.372  -0.879  -2.839  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.348  -1.608  -4.031  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.415  -2.998  -3.996  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -0.388  -3.894  -5.464  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -0.505  -3.666  -2.778  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.528  -2.938  -1.586  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.295  -0.557   1.609  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -1.429  -0.081   2.604  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -1.768  -0.185   3.955  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -0.679   0.401   5.152  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -2.976  -0.757   4.340  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.855  -1.223   3.366  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.518  -1.122   2.014  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        1.841   0.146  -0.425  0.00  0.00    +0.112 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.660   0.450   0.850  0.00  0.00    +0.006 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.418   2.008  -0.176  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        4.151   0.679   0.521  0.00  0.00    +0.002 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1        2.506  -0.647   1.929  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1        3.052  -2.021   1.563  0.00  0.00    +0.004 C 
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   1  22
BRANCH   5  28
ATOM     28  C   LIG    1       -1.952   3.355  -0.690  0.00  0.00    +0.133 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.609   3.636  -2.130  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -1.534   4.748  -2.629  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -1.473   2.550  -2.907  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -1.257   2.938  -3.782  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 9