REMARK  Name = BDB034724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.538   0.698   1.225  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.201   0.773   0.801  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        0.190   2.111   0.846  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        1.458   2.508   0.487  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.351   1.509   0.078  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.975   0.145   0.026  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -0.898   2.863   1.300  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -0.899   4.283   1.500  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        0.671  -0.222   0.403  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -1.982   2.000   1.556  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.082   2.312   1.983  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.879  -0.875  -0.339  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.417  -1.673  -0.773  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.291  -0.941  -0.291  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        5.021  -1.698  -1.227  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.407  -1.682  -1.145  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        7.426  -2.561  -2.222  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        7.110  -0.985  -0.224  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        6.396  -0.268   0.663  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        5.012  -0.213   0.665  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.357  -2.464  -2.232  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        3.761  -3.083  -3.013  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -2.324  -0.509   1.331  0.00  0.00    +0.133 C 
BRANCH  23  26
ATOM     24  C   LIG    1       -5.093   0.141   0.102  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1       -3.902  -0.295  -0.744  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -2.782  -1.044  -0.024  0.00  0.00    +0.040 C 
ATOM     27  C   LIG    1       -3.343  -2.451   0.035  0.00  0.00    +0.036 C 
ATOM     28  C   LIG    1       -4.037  -2.567  -1.308  0.00  0.00    +0.160 C 
ATOM     29  O   LIG    1       -4.402  -1.240  -1.716  0.00  0.00    -0.376 OA
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 5