REMARK  Name = BDB006071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.606   0.551  -1.282  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.913   0.096  -0.634  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1       -2.904   1.036  -0.456  0.00  0.00    -0.325 N 
ATOM      4  H   LIG    1       -2.670   1.996  -0.682  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1       -4.120   0.797   0.116  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1       -4.331  -0.600   0.513  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1       -5.531  -0.964   1.096  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -6.544   0.082   1.294  0.00  0.00    +0.273 A 
ATOM      9  N   LIG    1       -6.198   1.351   0.881  0.00  0.00    -0.241 N 
ATOM     10  H   LIG    1       -6.887   2.086   1.010  0.00  0.00    +0.192 HD
ATOM     11  O   LIG    1       -7.629  -0.176   1.804  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1       -5.736  -2.290   1.476  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -4.722  -3.230   1.263  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -3.509  -2.843   0.675  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.294  -1.518   0.291  0.00  0.00    +0.077 A 
ATOM     16  N   LIG    1       -5.015   1.722   0.299  0.00  0.00    -0.153 NA
ATOM     17  N   LIG    1       -2.056  -1.157  -0.294  0.00  0.00    -0.232 NA
ENDBRANCH   1   2
BRANCH   1  23
ATOM     18  O   LIG    1        3.891  -0.080  -2.744  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1        3.650   0.106  -1.553  0.00  0.00    +0.247 C 
ATOM     20  N   LIG    1        2.717   1.042  -1.093  0.00  0.00    -0.296 N 
ATOM     21  C   LIG    1        1.980   1.770  -2.125  0.00  0.00    +0.123 C 
ATOM     22  C   LIG    1        0.735   2.561  -1.676  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1       -0.246   1.899  -0.797  0.00  0.00    -0.294 NA
ATOM     24  C   LIG    1        0.170   1.929   0.613  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        1.416   1.140   1.017  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1        2.683   1.554   0.278  0.00  0.00    +0.109 C 
BRANCH  19  27
ATOM     27  C   LIG    1        4.389  -0.719  -0.577  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        3.704  -1.600   0.263  0.00  0.00    +0.033 A 
ATOM     29  C   LIG    1        4.429  -2.378   1.161  0.00  0.00    +0.042 A 
ATOM     30 CL   LIG    1        3.599  -3.454   2.217  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        5.821  -2.295   1.214  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.502  -1.432   0.351  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        5.786  -0.646  -0.552  0.00  0.00    +0.013 A 
ENDBRANCH  19  27
ENDBRANCH   1  23
TORSDOF 3