REMARK  Name = BDB060344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.495   2.510   0.225  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        0.470   2.060   1.137  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        1.667   1.494   0.689  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        1.931   1.382  -0.681  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        0.970   1.821  -1.598  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.228   2.388  -1.147  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.224   0.766  -1.106  0.00  0.00    +0.092 A 
ATOM      8  N   LIG    1        3.783  -0.109  -0.326  0.00  0.00    -0.166 NA
ATOM      9  N   LIG    1        4.955  -0.629  -0.777  0.00  0.00    -0.226 N 
ATOM     10  C   LIG    1        5.554  -0.329  -1.988  0.00  0.00    +0.085 A 
ATOM     11  C   LIG    1        6.680  -1.108  -2.109  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        6.782  -1.894  -0.944  0.00  0.00    +0.055 A 
ATOM     13 CL   LIG    1        7.787  -1.148  -3.397  0.00  0.00    -0.081 Cl
ATOM     14  C   LIG    1        4.945   0.653  -2.803  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        5.714  -1.577  -0.113  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1        3.803   1.224  -2.402  0.00  0.00    +0.032 A 
BRANCH  15  17
ATOM     17  C   LIG    1        5.407  -2.083   1.204  0.00  0.00    +0.260 C 
ATOM     18  O   LIG    1        4.720  -1.530   2.055  0.00  0.00    -0.269 OA
ATOM     19  N   LIG    1        5.959  -3.301   1.498  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        6.293  -3.913   0.770  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        5.635  -3.721   2.359  0.00  0.00    +0.145 HD
ENDBRANCH  15  17
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1       -1.791   3.123   0.717  0.00  0.00    +0.119 C 
BRANCH  22  26
ATOM     23  N   LIG    1       -3.778  -0.694   0.725  0.00  0.00    -0.297 NA
ATOM     24  C   LIG    1       -3.297   0.093  -0.436  0.00  0.00    +0.100 C 
ATOM     25  C   LIG    1       -3.480   1.626  -0.320  0.00  0.00    +0.100 C 
ATOM     26  N   LIG    1       -2.929   2.221   0.902  0.00  0.00    -0.296 NA
ATOM     27  C   LIG    1       -2.764   1.237   1.979  0.00  0.00    +0.100 C 
ATOM     28  C   LIG    1       -3.866   0.155   1.932  0.00  0.00    +0.100 C 
BRANCH  23  30
ATOM     29  C   LIG    1       -5.612  -2.119   1.705  0.00  0.00    +0.024 C 
ATOM     30  C   LIG    1       -5.001  -1.475   0.447  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -4.698  -2.612  -0.544  0.00  0.00    +0.024 C 
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5