REMARK  Name = BDB056419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.042  -1.695  -3.469  0.00  0.00    +0.175 A 
ATOM      2  C   LIG    1       -2.675  -1.340  -2.274  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1       -3.773  -2.039  -1.794  0.00  0.00    +0.182 A 
ATOM      4  N   LIG    1       -4.205  -1.530  -0.604  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1       -3.401  -0.520  -0.342  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1       -4.323  -3.090  -2.440  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -3.723  -3.404  -3.614  0.00  0.00    +0.137 A 
ATOM      8  N   LIG    1       -2.475  -0.359  -1.339  0.00  0.00    -0.334 N 
ATOM      9  H   LIG    1       -1.759   0.349  -1.370  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1       -2.619  -2.759  -4.164  0.00  0.00    +0.103 A 
ATOM     11 CL   LIG    1       -1.983  -3.303  -5.670  0.00  0.00    -0.078 Cl
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -3.498   0.358   0.932  0.00  0.00    +0.058 A 
ATOM     13  C   LIG    1       -2.716   1.455   1.368  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.550   2.099   0.717  0.00  0.00    +0.068 C 
ATOM     15  N   LIG    1       -3.151   1.922   2.547  0.00  0.00    -0.176 NA
ATOM     16  N   LIG    1       -4.196   1.129   2.850  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1       -4.923   1.349   4.077  0.00  0.00    +0.172 C 
ATOM     18  C   LIG    1       -4.442   0.174   1.914  0.00  0.00    +0.119 A 
ENDBRANCH   5  12
BRANCH   1  19
ATOM     19  O   LIG    1       -0.962  -1.021  -4.013  0.00  0.00    -0.452 OA
BRANCH  19  23
ATOM     20  C   LIG    1        2.177   0.040  -1.477  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        1.586   0.979  -2.336  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        0.538   0.604  -3.180  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        0.069  -0.708  -3.159  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1        0.676  -1.662  -2.338  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        1.728  -1.288  -1.496  0.00  0.00    +0.016 A 
BRANCH  20  28
ATOM     26  N   LIG    1        3.457  -0.207   0.574  0.00  0.00    -0.250 N 
ATOM     27  H   LIG    1        2.813  -0.930   0.858  0.00  0.00    +0.158 HD
ATOM     28  C   LIG    1        3.297   0.494  -0.601  0.00  0.00    +0.250 C 
ATOM     29  O   LIG    1        3.966   1.458  -0.959  0.00  0.00    -0.270 OA
BRANCH  26  34
ATOM     30  C   LIG    1        7.308   1.387   3.338  0.00  0.00    +0.069 C 
ATOM     31  C   LIG    1        6.124   0.719   2.755  0.00  0.00    +0.082 A 
ATOM     32  N   LIG    1        5.511  -0.270   3.418  0.00  0.00    -0.081 NA
ATOM     33  O   LIG    1        4.461  -0.665   2.608  0.00  0.00    -0.339 OA
ATOM     34  C   LIG    1        4.451   0.084   1.472  0.00  0.00    +0.224 A 
ATOM     35  C   LIG    1        5.490   0.978   1.518  0.00  0.00    +0.092 A 
ENDBRANCH  26  34
ENDBRANCH  20  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5