REMARK  Name = BDB042380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.043   1.265  -0.258  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        1.282   0.900   0.108  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        2.330   1.808  -0.065  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        2.073   3.060  -0.633  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1        0.774   3.423  -1.014  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -0.280   2.526  -0.822  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.722  -1.874   0.236  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -3.784  -0.790  -0.046  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -3.121  -0.335   1.198  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -2.079   0.779   0.937  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -1.069   0.304  -0.043  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -1.714  -0.122  -1.311  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -2.760  -1.225  -1.023  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  N   LIG    1        3.175   4.011  -0.825  0.00  0.00    +0.056 N 
ATOM     15  O   LIG    1        4.295   3.698  -0.397  0.00  0.00    -0.126 OA
ATOM     16  O   LIG    1        2.919   5.077  -1.403  0.00  0.00    -0.126 OA
ENDBRANCH   4  14
BRANCH   2  17
ATOM     17  N   LIG    1        1.459  -0.373   0.714  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1        0.561  -0.856   0.639  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.546  -1.259   0.564  0.00  0.00    +0.128 A 
ATOM     20  N   LIG    1        3.576  -0.962  -0.249  0.00  0.00    -0.221 NA
ATOM     21  C   LIG    1        4.582  -1.845  -0.323  0.00  0.00    +0.224 A 
ATOM     22  N   LIG    1        4.661  -2.999   0.340  0.00  0.00    -0.224 NA
ATOM     23  C   LIG    1        3.621  -3.245   1.147  0.00  0.00    +0.134 A 
ATOM     24 CL   LIG    1        3.726  -4.726   2.009  0.00  0.00    -0.062 Cl
ATOM     25  C   LIG    1        2.535  -2.421   1.307  0.00  0.00    +0.084 A 
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 4