REMARK  Name = BDB034773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.212  -2.424   2.299  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -3.138  -1.791   1.591  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -1.974  -1.280   2.176  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.222  -0.666   1.174  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.015  -0.053   1.444  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.462  -0.072   2.764  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -0.330  -0.681   3.774  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -1.926  -0.796  -0.033  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1       -1.554  -1.298   3.486  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -3.138  -1.471   0.221  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -4.019  -1.693  -0.597  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        1.669   0.555   3.140  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        1.901   0.427   4.121  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.849   0.764   2.378  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1        3.856   1.567   2.901  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1        3.774   2.290   4.458  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1        4.958   1.749   2.103  0.00  0.00    +0.138 A 
ATOM     18  N   LIG    1        5.092   1.195   0.883  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1        4.088   0.431   0.441  0.00  0.00    +0.226 A 
ATOM     20  N   LIG    1        2.966   0.208   1.152  0.00  0.00    -0.197 NA
BRANCH  19  21
ATOM     21  N   LIG    1        4.179  -0.180  -0.812  0.00  0.00    -0.240 N 
ATOM     22  C   LIG    1        5.288  -0.153  -1.648  0.00  0.00    +0.222 C 
ATOM     23  O   LIG    1        6.353   0.429  -1.519  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1        4.985  -1.065  -2.816  0.00  0.00    +0.098 C 
ATOM     25  C   LIG    1        3.473  -1.210  -2.766  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1        3.153  -1.064  -1.293  0.00  0.00    +0.117 C 
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  27
ATOM     27  C   LIG    1       -1.526  -0.258  -1.308  0.00  0.00    +0.130 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.923   1.208  -1.527  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.375   1.485  -1.980  0.00  0.00    +0.062 C 
ATOM     30  C   LIG    1       -3.740   0.778  -3.289  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1       -3.554   2.998  -2.162  0.00  0.00    +0.041 C 
BRANCH  29  32
ATOM     32  O   LIG    1       -4.300   1.099  -0.968  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1       -4.441   0.131  -1.030  0.00  0.00    +0.210 HD
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 7