REMARK  Name = BDB003505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.014  -0.918   1.665  0.00  0.00    -0.312 N 
ATOM      2  H   LIG    1       -0.126  -1.858   1.302  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        1.174  -0.279   1.379  0.00  0.00    +0.230 C 
ATOM      4  O   LIG    1        1.312   0.943   1.395  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.260  -0.165   1.769  0.00  0.00    +0.128 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.945   0.011   0.378  0.00  0.00    +0.107 C 
BRANCH   6   8
ATOM      7  C   LIG    1       -3.425   1.913  -0.495  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -3.201   0.884   0.449  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -4.159   0.693   1.466  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -5.301   1.488   1.545  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.510   2.492   0.609  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.578   2.703  -0.408  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -2.574   3.186  -2.331  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -2.471   2.060  -1.470  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   6   8
BRANCH   6  15
ATOM     15  N   LIG    1       -2.100  -1.312  -0.280  0.00  0.00    -0.294 NA
ATOM     16  C   LIG    1       -2.364  -1.238  -1.716  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -2.662  -2.687  -2.077  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -3.093  -3.346  -0.769  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1       -3.109  -2.218   0.253  0.00  0.00    +0.085 C 
ENDBRANCH   6  15
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   3  20
ATOM     20  C   LIG    1        2.324  -1.234   1.060  0.00  0.00    +0.200 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.514  -0.487   0.712  0.00  0.00    -0.303 N 
ATOM     22  H   LIG    1        3.492   0.515   0.885  0.00  0.00    +0.150 HD
ATOM     23  C   LIG    1        4.664  -1.115   0.312  0.00  0.00    +0.246 C 
ATOM     24  O   LIG    1        4.735  -2.330   0.151  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        5.840  -0.257   0.005  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        6.191   0.903   0.709  0.00  0.00    +0.053 A 
ATOM     27 CL   LIG    1        5.332   1.478   2.095  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        7.318   1.639   0.321  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        8.103   1.222  -0.755  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.771   0.061  -1.446  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.648  -0.676  -1.066  0.00  0.00    +0.014 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 8