REMARK  Name = BDB007050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.187  -0.108  -0.318  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.230  -0.686  -0.298  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        2.115  -0.357   0.743  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        3.425  -0.833   0.819  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        3.878  -1.695  -0.195  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        5.194  -2.168  -0.115  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        6.003  -1.780   0.947  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        5.467  -0.931   1.898  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        3.014  -2.058  -1.240  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        4.203  -0.454   1.857  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        1.708  -1.563  -1.285  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1        1.684   0.463   1.766  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        2.476   0.555   2.340  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -0.235   1.395  -0.604  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1        0.107   1.985  -1.833  0.00  0.00    +0.046 A 
ATOM     16 CL   LIG    1        0.614   1.067  -3.206  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        0.033   3.374  -2.005  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.385   4.197  -0.960  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -0.732   3.634   0.262  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -0.659   2.251   0.437  0.00  0.00    +0.007 A 
ENDBRANCH   1  14
BRANCH   1  21
ATOM     21  N   LIG    1       -1.060  -0.859  -1.237  0.00  0.00    -0.318 N 
ATOM     22  H   LIG    1       -0.913  -0.535  -2.194  0.00  0.00    +0.148 HD
BRANCH  21  26
ATOM     23  C   LIG    1       -5.139  -1.208   1.559  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -4.443  -0.877   0.274  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1       -3.061  -1.046   0.148  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -2.430  -0.699  -1.043  0.00  0.00    +0.120 A 
ATOM     27  N   LIG    1       -3.112  -0.224  -2.102  0.00  0.00    -0.240 NA
ATOM     28  C   LIG    1       -4.443  -0.050  -1.961  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1       -5.145  -0.348  -0.805  0.00  0.00    +0.023 A 
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 5