REMARK  Name = BDB030789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.534  -0.189   2.699  0.00  0.00    +0.031 C 
ATOM      2  C   LIG    1        5.179   0.499   1.383  0.00  0.00    +0.105 C 
ATOM      3  N   LIG    1        4.213  -0.337   0.648  0.00  0.00    -0.337 N 
ATOM      4  H   LIG    1        3.642  -0.919   1.251  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        3.567   0.082  -0.524  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1        2.083  -0.064  -0.597  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1        1.423   0.114  -1.826  0.00  0.00    +0.054 A 
ATOM      8  N   LIG    1        2.158   0.547  -2.967  0.00  0.00    -0.310 N 
ATOM      9  C   LIG    1        3.507   0.865  -2.887  0.00  0.00    +0.267 A 
ATOM     10  O   LIG    1        4.125   1.394  -3.811  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        1.471   0.784  -4.229  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1        0.040  -0.103  -1.895  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -0.699  -0.443  -0.758  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -0.095  -0.531   0.489  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        1.300  -0.361   0.543  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        4.203   0.545  -1.621  0.00  0.00    +0.145 A 
ATOM     17  C   LIG    1        5.674   0.612  -1.599  0.00  0.00    +0.346 C 
ATOM     18  O   LIG    1        6.421  -0.011  -2.339  0.00  0.00    -0.245 OA
ATOM     19  O   LIG    1        6.105   1.467  -0.634  0.00  0.00    -0.459 OA
ATOM     20  C   LIG    1        6.448   0.750   0.555  0.00  0.00    +0.254 C 
ENDROOT
BRANCH  14  21
ATOM     21  N   LIG    1       -0.781  -0.881   1.670  0.00  0.00    -0.298 N 
ATOM     22  H   LIG    1       -0.235  -0.705   2.507  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.167  -0.855   1.983  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -2.579  -1.351   3.214  0.00  0.00    +0.099 A 
ATOM     25 CL   LIG    1       -1.488  -1.937   4.408  0.00  0.00    -0.078 Cl
ATOM     26  C   LIG    1       -3.931  -1.333   3.458  0.00  0.00    +0.138 A 
ATOM     27  N   LIG    1       -4.841  -0.873   2.578  0.00  0.00    -0.221 NA
ATOM     28  C   LIG    1       -4.374  -0.420   1.400  0.00  0.00    +0.226 A 
ATOM     29  N   LIG    1       -3.070  -0.402   1.088  0.00  0.00    -0.197 NA
BRANCH  28  30
ATOM     30  N   LIG    1       -5.319   0.052   0.484  0.00  0.00    -0.240 N 
ATOM     31  C   LIG    1       -5.061   0.448  -0.822  0.00  0.00    +0.222 C 
ATOM     32  O   LIG    1       -4.005   0.516  -1.429  0.00  0.00    -0.275 OA
ATOM     33  C   LIG    1       -6.396   0.756  -1.464  0.00  0.00    +0.098 C 
ATOM     34  C   LIG    1       -7.324   0.935  -0.275  0.00  0.00    +0.029 C 
ATOM     35  C   LIG    1       -6.725   0.028   0.779  0.00  0.00    +0.117 C 
ENDBRANCH  28  30
ENDBRANCH  21  23
ENDBRANCH  14  21
TORSDOF 3