REMARK  Name = BDB050156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.111  -0.339   1.373  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1        1.124  -0.100   1.006  0.00  0.00    -0.149 NA
ATOM      3  N   LIG    1        2.053  -0.116   2.004  0.00  0.00    -0.211 N 
ATOM      4  C   LIG    1        1.825  -0.346   3.348  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        2.928  -0.263   4.059  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        3.908   0.028   3.147  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1        0.501  -0.626   3.734  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        3.412   0.119   1.856  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -0.462  -0.635   2.807  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.099   0.416   0.598  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        3.759  -0.238  -0.594  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        4.431   0.059  -1.780  0.00  0.00    +0.042 A 
ATOM     13 CL   LIG    1        3.991  -0.748  -3.236  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        5.455   1.002  -1.798  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        5.810   1.654  -0.619  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.137   1.361   0.571  0.00  0.00    +0.010 A 
ENDBRANCH   8  10
BRANCH   1  20
ATOM     17  N   LIG    1       -3.177  -0.293  -1.782  0.00  0.00    -0.297 NA
ATOM     18  C   LIG    1       -3.322   0.397  -0.484  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1       -2.537  -0.231   0.687  0.00  0.00    +0.122 C 
ATOM     20  N   LIG    1       -1.098  -0.326   0.394  0.00  0.00    -0.311 N 
ATOM     21  C   LIG    1       -0.739  -0.206  -1.032  0.00  0.00    +0.122 C 
ATOM     22  C   LIG    1       -1.816  -0.868  -1.919  0.00  0.00    +0.103 C 
BRANCH  17  23
ATOM     23  C   LIG    1       -4.189  -1.346  -2.009  0.00  0.00    +0.112 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.631  -0.829  -2.152  0.00  0.00    +0.171 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -6.274  -0.749  -0.882  0.00  0.00    -0.394 OA
ATOM     26  H   LIG    1       -7.161  -0.382  -1.043  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  20
TORSDOF 5