REMARK  Name = BDB056076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.960  -0.009  -0.681  0.00  0.00    +0.208 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.927  -1.089  -0.698  0.00  0.00    -0.276 N 
ATOM      3  C   LIG    1       -2.615  -1.572  -1.823  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -3.428  -2.626  -1.397  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -4.244  -3.333  -2.249  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -4.226  -2.945  -3.590  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -3.412  -1.884  -4.037  0.00  0.00    +0.022 A 
ATOM      8 CL   LIG    1       -5.221  -3.777  -4.724  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1       -3.244  -2.793  -0.031  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -3.671  -3.482   0.567  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -2.590  -1.182  -3.146  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -2.305  -1.855   0.424  0.00  0.00    +0.329 A 
ATOM     13  O   LIG    1       -1.922  -1.754   1.577  0.00  0.00    -0.247 OA
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -1.446   1.187   0.135  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1       -2.117   2.240  -0.513  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -2.577   3.345   0.207  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1       -2.381   3.404   1.584  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1       -3.005   4.898   2.559  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -1.734   2.365   2.248  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -1.274   1.261   1.527  0.00  0.00    +0.007 A 
ENDBRANCH   1  14
BRANCH   1  22
ATOM     21  O   LIG    1        0.776  -1.719  -0.398  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1        0.464  -0.530  -0.340  0.00  0.00    +0.241 C 
ATOM     23  N   LIG    1        1.410   0.458  -0.093  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        1.074   1.387   0.130  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        2.758   0.120   0.344  0.00  0.00    +0.073 C 
ATOM     26  C   LIG    1        3.718   1.273   0.028  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1        5.130   0.985   0.529  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        5.141   0.650   2.017  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        4.188  -0.496   2.342  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        2.774  -0.213   1.842  0.00  0.00    +0.022 C 
ENDBRANCH  23  25
ENDBRANCH   1  22
TORSDOF 4