REMARK  Name = BDB049178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.474   1.253   0.064  0.00  0.00    +0.176 C 
ATOM      2  N   LIG    1        3.203   0.562  -0.057  0.00  0.00    -0.231 N 
ATOM      3  C   LIG    1        3.107  -0.778   0.306  0.00  0.00    +0.287 A 
ATOM      4  O   LIG    1        4.046  -1.424   0.769  0.00  0.00    -0.265 OA
ATOM      5  C   LIG    1        1.766  -1.400   0.111  0.00  0.00    +0.129 A 
ATOM      6 CL   LIG    1        1.584  -3.052   0.607  0.00  0.00    -0.076 Cl
ATOM      7  C   LIG    1        0.726  -0.721  -0.394  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.072   0.650  -0.844  0.00  0.00    +0.157 A 
ATOM      9  N   LIG    1        2.203   1.257  -0.687  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1       -0.551  -1.208  -0.630  0.00  0.00    -0.312 N 
ATOM     11  H   LIG    1       -0.629  -2.210  -0.448  0.00  0.00    +0.152 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -1.777  -0.563  -0.346  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -2.950  -1.112  -0.885  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -4.194  -0.515  -0.666  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.282   0.646   0.096  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.129   1.206   0.637  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -1.884   0.608   0.415  0.00  0.00    +0.023 A 
ENDBRANCH  10  12
ENDBRANCH   7  10
TORSDOF 2