REMARK  Name = BDB014807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.252   0.291   0.483  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.625   0.829   1.255  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -7.064   1.140   1.230  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.575   1.185   1.454  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.758   0.731   0.426  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.307   0.880   0.650  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.533   0.063  -0.320  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.140  -0.207  -0.413  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -0.889  -0.986  -1.472  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.087  -1.228  -2.030  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.156  -2.074  -3.197  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.102  -0.599  -1.386  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.548  -0.610  -1.702  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.220   0.574  -0.972  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -5.122   1.605   2.521  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.154   0.181   0.574  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.947  -0.491  -0.358  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.339  -0.567  -0.211  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.990   0.030   0.876  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        3.198   0.707   1.813  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.806   0.780   1.664  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.451  -0.051   1.030  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        6.227   1.108   1.204  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        7.616   1.031   1.350  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        8.246  -0.209   1.324  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        9.954  -0.306   1.504  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        7.501  -1.372   1.153  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.112  -1.292   1.006  0.00  0.00    +0.010 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3