REMARK  Name = BDB024076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.645   0.045  -0.368  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.825   1.151  -0.484  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1        1.258   2.010  -0.804  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        1.300  -1.071   0.004  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.009  -0.873  -1.800  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        3.680  -0.915  -1.365  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        3.066   0.219  -0.795  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        3.817   1.395  -0.650  0.00  0.00    +0.053 A 
ATOM      9 CL   LIG    1        3.208   2.837   0.084  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        5.147   1.435  -1.089  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1        5.741   0.308  -1.663  0.00  0.00    +0.020 A 
BRANCH   5  13
ATOM     12  N   LIG    1        6.117  -2.962  -2.866  0.00  0.00    -0.191 NA
ATOM     13  C   LIG    1        5.617  -2.033  -2.385  0.00  0.00    +0.099 C 
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  C   LIG    1       -0.550   1.240  -0.170  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -1.313   0.179   0.316  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1       -2.670   0.369   0.588  0.00  0.00    +0.074 A 
ATOM     17  N   LIG    1       -3.263   1.578   0.405  0.00  0.00    -0.255 NA
ATOM     18  C   LIG    1       -2.508   2.592  -0.062  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1       -1.165   2.474  -0.362  0.00  0.00    +0.043 A 
BRANCH  16  20
ATOM     20  C   LIG    1       -3.553  -0.699   1.096  0.00  0.00    +0.018 A 
ATOM     21  C   LIG    1       -3.317  -2.057   0.870  0.00  0.00    +0.120 A 
ATOM     22  N   LIG    1       -4.098  -3.076   1.317  0.00  0.00    -0.263 NA
ATOM     23  C   LIG    1       -5.190  -2.732   2.028  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -5.537  -1.425   2.310  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -4.710  -0.406   1.837  0.00  0.00    +0.013 A 
ENDBRANCH  16  20
ENDBRANCH   2  14
TORSDOF 4