REMARK  Name = BDB019751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.056  -2.121   0.630  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -1.405  -1.335   1.598  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.127  -0.814   1.320  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        0.517  -1.095   0.111  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.138  -1.876  -0.846  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -1.415  -2.387  -0.585  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.871  -0.518  -0.120  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        2.704  -1.217  -0.964  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        2.391  -2.050  -1.439  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.206   0.520   0.440  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.986  -0.681  -1.375  0.00  0.00    +0.160 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.869   0.064  -2.685  0.00  0.00    +0.058 A 
ATOM     13  N   LIG    1        4.066  -0.648  -3.828  0.00  0.00    -0.257 NA
ATOM     14  C   LIG    1        3.927   0.019  -5.001  0.00  0.00    +0.131 A 
ATOM     15  C   LIG    1        3.587   1.359  -5.093  0.00  0.00    +0.059 A 
ATOM     16 CL   LIG    1        3.428   2.126  -6.620  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        3.372   2.068  -3.919  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        3.511   1.413  -2.696  0.00  0.00    +0.026 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  20
ATOM     19  C   LIG    1       -4.056  -3.237  -0.041  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -3.306  -2.570   0.967  0.00  0.00    -0.495 OA
ENDBRANCH   1  20
BRANCH   2  21
ATOM     21  C   LIG    1       -2.070  -0.990   2.912  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.988   0.124   2.756  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -3.702  -0.093   2.066  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.575   1.399   2.593  0.00  0.00    +0.176 C 
ATOM     25  N   LIG    1       -1.560   1.841   3.380  0.00  0.00    -0.316 N 
ATOM     26  H   LIG    1       -1.631   1.521   4.337  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -1.495   3.278   3.216  0.00  0.00    +0.127 C 
ATOM     28  C   LIG    1       -2.319   3.478   1.940  0.00  0.00    +0.163 C 
ATOM     29  N   LIG    1       -3.121   2.237   1.761  0.00  0.00    -0.255 NA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 7