REMARK  Name = BDB036830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.398   0.270   1.117  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.640  -0.264   0.388  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1        0.433  -1.045  -0.229  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.276   0.990   2.097  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.018  -0.157   0.860  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1        2.864  -1.107   0.003  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        2.606  -2.307  -0.089  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        3.835  -0.542  -0.782  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        4.337  -1.197  -1.367  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        3.759   0.719  -1.313  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        4.348   0.998  -2.353  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        2.843   1.695  -0.617  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.579   1.265   0.817  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  18
ATOM     14  C   LIG    1       -4.336  -0.742  -0.188  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -3.632   0.289  -0.818  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -2.338   0.614  -0.399  0.00  0.00    +0.056 A 
ATOM     17 CL   LIG    1       -1.527   1.898  -1.222  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1       -1.743  -0.096   0.650  0.00  0.00    +0.073 A 
ATOM     19  C   LIG    1       -2.446  -1.128   1.281  0.00  0.00    +0.056 A 
ATOM     20 CL   LIG    1       -1.762  -2.061   2.563  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -3.740  -1.451   0.860  0.00  0.00    +0.039 A 
BRANCH  14  23
ATOM     22  N   LIG    1       -6.734  -1.345  -0.969  0.00  0.00    -0.191 NA
ATOM     23  C   LIG    1       -5.663  -1.074  -0.618  0.00  0.00    +0.099 C 
ENDBRANCH  14  23
ENDBRANCH   1  18
TORSDOF 3