REMARK  Name = BDB050363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.271  -1.645  -0.715  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.125  -0.614  -0.068  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -1.115   0.289   0.266  0.00  0.00    -0.281 N 
ATOM      4  H   LIG    1       -0.842   1.086   0.831  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.263  -0.264   0.356  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1        1.598   0.363   1.567  0.00  0.00    +0.053 A 
ATOM      7 CL   LIG    1        0.437   0.805   2.768  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        2.941   0.637   1.867  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        3.957   0.286   0.975  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        3.627  -0.350  -0.226  0.00  0.00    +0.127 A 
ATOM     11  C   LIG    1        2.290  -0.628  -0.537  0.00  0.00    +0.047 A 
BRANCH  10  12
ATOM     12  N   LIG    1        4.691  -0.724  -1.168  0.00  0.00    +0.056 N 
ATOM     13  O   LIG    1        4.352  -1.152  -2.278  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1        5.863  -0.579  -0.794  0.00  0.00    -0.126 OA
ENDBRANCH  10  12
ENDBRANCH   2   5
BRANCH   3  15
ATOM     15  C   LIG    1       -2.490   0.207  -0.043  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -3.061  -0.813  -0.797  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1       -4.427  -0.777  -1.032  0.00  0.00    +0.112 A 
ATOM     18  N   LIG    1       -5.246   0.192  -0.574  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1       -4.672   1.169   0.155  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1       -3.317   1.221   0.443  0.00  0.00    +0.043 A 
ENDBRANCH   3  15
TORSDOF 3