REMARK  Name = BDB006683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.229  -0.435  -0.047  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.526   0.225   1.074  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -1.920  -0.049   0.676  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -3.259   0.126   1.042  0.00  0.00    +0.094 A 
ATOM      5  N   LIG    1       -4.081  -0.448   0.131  0.00  0.00    -0.173 NA
ATOM      6  N   LIG    1       -3.241  -0.980  -0.792  0.00  0.00    -0.256 N 
ATOM      7  C   LIG    1       -1.953  -0.749  -0.491  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1       -0.663  -1.014  -1.005  0.00  0.00    +0.270 C 
ATOM      9  O   LIG    1       -0.409  -1.614  -2.036  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     10  C   LIG    1        4.545   0.572   2.209  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        3.791   0.001   1.034  0.00  0.00    -0.004 A 
ATOM     12  C   LIG    1        4.461  -0.581  -0.086  0.00  0.00    +0.164 A 
ATOM     13  N   LIG    1        3.691  -1.084  -1.117  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.596  -1.573  -2.034  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1        5.820  -1.377  -1.585  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1        4.221  -2.213  -3.314  0.00  0.00    +0.088 C 
ATOM     17  C   LIG    1        2.300  -1.050  -1.129  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1        1.622  -0.507  -0.097  0.00  0.00    +0.055 A 
ATOM     19  N   LIG    1        5.734  -0.755  -0.362  0.00  0.00    -0.129 NA
ATOM     20  C   LIG    1        2.435   0.024   1.012  0.00  0.00    +0.032 A 
ENDBRANCH   1  18
BRANCH   2  21
ATOM     21  C   LIG    1       -0.411   1.736   1.140  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -0.441   2.373   2.396  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.345   3.763   2.496  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.219   4.534   1.344  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -0.101   6.245   1.469  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.190   3.927   0.092  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.287   2.536  -0.011  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   6  28
ATOM     28  C   LIG    1       -3.719  -1.704  -1.983  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1       -3.462  -3.179  -2.182  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -4.857  -2.696  -1.920  0.00  0.00    +0.029 C 
ENDBRANCH   6  28
BRANCH   4  31
ATOM     31  C   LIG    1       -3.834   0.819   2.231  0.00  0.00    +0.213 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -5.049   0.206   2.660  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1       -5.433  -0.167   1.839  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH   4  31
TORSDOF 5