REMARK  Name = BDB008970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.840   0.112  -0.603  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.711  -0.641  -0.959  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -0.291  -0.127  -1.810  0.00  0.00    -0.021 A 
ATOM      4  C   LIG    1       -0.110   1.158  -2.341  0.00  0.00    +0.045 A 
ATOM      5 CL   LIG    1       -1.217   1.866  -3.457  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        1.011   1.913  -1.989  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1        1.977   1.396  -1.121  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        3.941   0.059   0.768  0.00  0.00    +0.217 C 
ATOM      9  N   LIG    1        2.774  -0.495   0.262  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        2.567  -1.444   0.547  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        4.348   1.197   0.572  0.00  0.00    -0.275 OA
BRANCH   8  12
ATOM     12  C   LIG    1        4.683  -0.932   1.657  0.00  0.00    +0.096 C 
BRANCH  12  14
ATOM     13  C   LIG    1        7.092  -0.479   1.004  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        6.054  -0.442   2.117  0.00  0.00    +0.006 C 
ENDBRANCH  12  14
ENDBRANCH   8  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -1.476  -1.011  -2.141  0.00  0.00    +0.094 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.860  -0.428  -1.860  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -3.239  -0.003  -0.474  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -2.319  -0.223   0.692  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -3.021  -0.110   2.049  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -3.929   1.113   2.088  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.994   1.039   0.993  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -4.459   0.545  -0.324  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -5.369   0.672  -1.489  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1       -6.483   1.176  -1.388  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -4.899   0.169  -2.671  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1       -5.502   0.251  -3.483  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1       -3.667  -0.363  -2.877  0.00  0.00    -0.175 NA
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 5