REMARK  Name = BDB058452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.975  -0.833   4.352  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -0.974  -0.810   2.918  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.134  -0.527   2.115  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.249  -0.671   0.783  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.651  -0.493  -0.250  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        1.982  -0.159   0.067  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        2.335   0.025   1.425  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -1.611  -1.019   0.759  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        1.417  -0.173   2.465  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.064  -1.161   2.094  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.168  -1.527   2.464  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.888   0.082  -0.995  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        2.504  -0.228  -1.885  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.306   0.032  -1.000  0.00  0.00    +0.145 A 
ATOM     15  C   LIG    1        5.010   0.568  -2.070  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1        6.383   0.495  -1.980  0.00  0.00    +0.152 A 
ATOM     17 CL   LIG    1        7.435   1.098  -3.205  0.00  0.00    -0.060 Cl
ATOM     18  N   LIG    1        7.055  -0.049  -0.950  0.00  0.00    -0.223 NA
ATOM     19  C   LIG    1        6.293  -0.532   0.029  0.00  0.00    +0.225 A 
ATOM     20  N   LIG    1        4.954  -0.512   0.051  0.00  0.00    -0.219 NA
BRANCH  15  21
ATOM     21  C   LIG    1        4.353   1.151  -3.189  0.00  0.00    +0.106 C 
ATOM     22  N   LIG    1        3.779   1.588  -4.098  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1       -2.385  -1.339  -0.420  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.635  -0.144  -1.353  0.00  0.00    +0.056 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.960   0.613  -1.135  0.00  0.00    +0.062 C 
ATOM     26  C   LIG    1       -4.128   1.135   0.290  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.052   1.785  -2.121  0.00  0.00    +0.041 C 
BRANCH  25  28
ATOM     28  O   LIG    1       -5.050  -0.273  -1.404  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1       -5.067  -0.463  -2.357  0.00  0.00    +0.210 HD
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7