REMARK  Name = BDB058467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.567   0.613   0.301  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.777   0.144  -0.243  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.223  -1.109   0.133  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1        3.369  -1.820  -0.254  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1        3.403  -3.050   0.443  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1        2.232  -3.084   1.231  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1        1.859  -4.143   2.123  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1        4.272  -3.905   0.385  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        1.521  -1.893   1.046  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.350  -1.458   1.622  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -0.115  -0.191   1.246  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.125   1.908  -0.048  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.673   2.326  -0.793  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1       -3.495   2.151   0.133  0.00  0.00    +0.220 A 
ATOM     15  N   LIG    1       -2.255   1.632   0.147  0.00  0.00    -0.198 NA
ATOM     16  C   LIG    1       -1.194   2.438  -0.069  0.00  0.00    +0.147 A 
ATOM     17  C   LIG    1       -1.365   3.798  -0.289  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1       -0.062   4.880  -0.585  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -2.659   4.252  -0.275  0.00  0.00    +0.137 A 
ATOM     20  N   LIG    1       -3.726   3.456  -0.070  0.00  0.00    -0.221 NA
BRANCH  14  27
ATOM     21  C   LIG    1       -6.931   0.405  -1.482  0.00  0.00    +0.039 C 
ATOM     22  C   LIG    1       -6.946   0.735   0.009  0.00  0.00    +0.133 C 
ATOM     23  O   LIG    1       -6.790  -0.502   0.730  0.00  0.00    -0.371 OA
ATOM     24  C   LIG    1       -5.585  -0.587   1.505  0.00  0.00    +0.133 C 
ATOM     25  C   LIG    1       -5.403  -2.044   1.909  0.00  0.00    +0.039 C 
ATOM     26  C   LIG    1       -4.349  -0.068   0.739  0.00  0.00    +0.139 C 
ATOM     27  N   LIG    1       -4.564   1.313   0.316  0.00  0.00    -0.295 N 
ATOM     28  C   LIG    1       -5.922   1.838   0.366  0.00  0.00    +0.139 C 
ENDBRANCH  14  27
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  29
ATOM     29  C   LIG    1        4.414  -1.332  -1.125  0.00  0.00    +0.130 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.467  -0.537  -0.348  0.00  0.00    +0.056 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.525   0.144  -1.235  0.00  0.00    +0.062 C 
ATOM     32  C   LIG    1        5.927   1.272  -2.080  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1        7.654   0.696  -0.358  0.00  0.00    +0.041 C 
BRANCH  31  34
ATOM     34  O   LIG    1        7.078  -0.829  -2.120  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1        7.821  -0.422  -2.598  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   4  29
TORSDOF 7