REMARK  Name = BDB027801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.881   0.686   0.281  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -0.699   2.011   0.746  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        0.644   2.406   0.802  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1        0.914   3.688   1.257  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.001   4.606   1.653  0.00  0.00    -0.260 NA
ATOM      6  C   LIG    1       -1.286   4.216   1.587  0.00  0.00    +0.131 A 
ATOM      7  N   LIG    1        1.672   1.626   0.447  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.391   0.388   0.024  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -1.687   2.960   1.148  0.00  0.00    +0.071 A 
ATOM     10 CL   LIG    1       -3.389   2.667   1.091  0.00  0.00    -0.081 Cl
ATOM     11  N   LIG    1        0.153  -0.105  -0.066  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        2.511  -0.487  -0.366  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        2.294  -1.806  -0.792  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1        3.376  -2.595  -1.150  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        4.655  -2.171  -1.116  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        4.859  -0.904  -0.705  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        3.841  -0.042  -0.328  0.00  0.00    +0.031 A 
ENDBRANCH   8  12
BRANCH   1  18
ATOM     18  N   LIG    1       -2.172   0.105   0.256  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1       -2.868   0.783  -0.049  0.00  0.00    +0.148 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -2.311  -1.385  -1.782  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -2.370  -1.263  -0.278  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -3.389  -2.128   0.433  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -1.930  -2.450   0.548  0.00  0.00    +0.027 C 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 3