REMARK  Name = BDB026341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.119  -0.865   0.041  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1        1.659  -2.240  -0.230  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.371  -2.527   0.573  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.774  -1.668   0.191  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.310  -0.367  -0.344  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.045   0.141   0.206  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.882   0.432  -1.246  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        5.305   1.105  -0.223  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        4.090   0.652   0.177  0.00  0.00    +0.151 A 
ATOM     10 CL   LIG    1        3.547   1.528   1.565  0.00  0.00    -0.060 Cl
ATOM     11  C   LIG    1        3.376  -0.433  -0.383  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        4.051  -1.090  -1.425  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        5.305  -0.662  -1.867  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.993   2.578  -1.208  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.676   2.036  -1.011  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.107   2.343  -0.226  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.225   0.925  -1.692  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.849   0.360  -2.583  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.697  -1.525   1.327  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.053  -0.976   0.929  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.604   0.122   1.606  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -4.862   0.604   1.240  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1       -5.598   0.006   0.206  0.00  0.00    +0.088 A 
ATOM     24  N   LIG    1       -6.866   0.473  -0.181  0.00  0.00    -0.236 NA
ATOM     25  C   LIG    1       -7.369   1.501   0.454  0.00  0.00    +0.209 A 
ATOM     26  C   LIG    1       -6.644   2.204   1.580  0.00  0.00    +0.279 A 
ATOM     27  O   LIG    1       -7.140   3.161   2.152  0.00  0.00    -0.266 OA
ATOM     28  C   LIG    1       -5.052  -1.089  -0.458  0.00  0.00    +0.030 A 
ATOM     29  N   LIG    1       -5.409   1.701   1.910  0.00  0.00    -0.319 N 
ATOM     30  H   LIG    1       -4.910   2.158   2.662  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1       -3.793  -1.580  -0.100  0.00  0.00    +0.007 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -8.712   2.088   0.131  0.00  0.00    +0.439 C 
ATOM     33  F   LIG    1       -9.344   1.435  -0.888  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1       -8.637   3.391  -0.260  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1       -9.574   2.042   1.184  0.00  0.00    -0.164 F 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5