REMARK  Name = BDB007849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.470   0.060   0.958  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.613  -0.333  -0.004  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1        0.392   0.271  -0.058  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -0.453  -0.031  -1.254  0.00  0.00    +0.167 C 
ATOM      5  N   LIG    1       -1.869   0.217  -1.048  0.00  0.00    -0.276 N 
ATOM      6  C   LIG    1       -2.277   1.313  -0.285  0.00  0.00    +0.314 C 
ATOM      7  N   LIG    1       -1.357   1.794   0.669  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -3.415   1.773  -0.409  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1       -0.046   1.247   0.827  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        0.893   1.671   1.772  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        2.152   1.067   1.850  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.821   2.770   1.606  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -1.829   2.508   2.986  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.317   3.458   3.888  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -2.816   4.669   3.414  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.422   5.835   4.524  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.841   4.934   2.048  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -2.353   3.983   1.147  0.00  0.00    +0.025 A 
ENDBRANCH   7  12
BRANCH   1  20
ATOM     19  C   LIG    1        4.803  -0.419   1.720  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1        3.680  -0.623   0.949  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1        3.773  -1.316   0.212  0.00  0.00    +0.156 HD
ATOM     22  O   LIG    1        4.929   0.431   2.597  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1        5.911  -1.460   1.403  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1        7.279  -0.928   1.826  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1        6.551  -3.041  -0.348  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1        5.851  -1.800  -0.042  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1        6.273  -1.037  -0.576  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH   1  20
BRANCH   5  28
ATOM     28  C   LIG    1       -2.827  -0.347  -2.031  0.00  0.00    +0.075 C 
ATOM     29  C   LIG    1       -2.635   0.319  -3.399  0.00  0.00    +0.028 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -2.725  -1.889  -2.098  0.00  0.00    +0.025 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.038  -2.671  -2.324  0.00  0.00    -0.015 C 
ATOM     32  C   LIG    1       -4.999  -2.542  -1.141  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -4.748  -2.315  -3.627  0.00  0.00    +0.007 C 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 7