REMARK  Name = BDB006205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.307   0.326  -0.568  0.00  0.00    -0.232 N 
ATOM      2  C   LIG    1       -1.414  -0.489   0.159  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.207   0.176   0.084  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        1.206   0.170   0.545  0.00  0.00    +0.164 C 
ATOM      5  N   LIG    1        1.730   1.421  -0.076  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.772   2.079  -0.879  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1        0.859   3.140  -1.477  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.419   1.266  -0.749  0.00  0.00    +0.154 A 
ATOM      9  N   LIG    1       -1.653   1.337  -1.226  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        3.077   1.832   0.114  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        3.887   2.348  -0.921  0.00  0.00    -0.029 A 
ATOM     12  C   LIG    1        3.474   2.416  -2.368  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1        5.195   2.783  -0.623  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        5.722   2.663   0.661  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.942   2.107   1.663  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1        5.582   1.936   3.251  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        3.637   1.693   1.397  0.00  0.00    +0.043 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1        1.877  -1.073  -0.018  0.00  0.00    +0.067 A 
ATOM     19  N   LIG    1        1.897  -1.255  -1.368  0.00  0.00    -0.256 NA
ATOM     20  C   LIG    1        2.541  -2.346  -1.851  0.00  0.00    +0.131 A 
ATOM     21  C   LIG    1        3.182  -3.275  -1.050  0.00  0.00    +0.059 A 
ATOM     22 CL   LIG    1        3.976  -4.633  -1.733  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        3.169  -3.079   0.325  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        2.514  -1.965   0.851  0.00  0.00    +0.027 A 
ENDBRANCH   4  18
BRANCH   1  26
ATOM     25  C   LIG    1       -4.562  -0.012   0.395  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -3.720   0.262  -0.689  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1       -4.289   0.553  -1.940  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -5.672   0.472  -2.122  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.496   0.118  -1.056  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.944  -0.119   0.202  0.00  0.00    +0.048 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -4.067   1.141   2.316  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -4.100  -0.139   1.679  0.00  0.00    -0.493 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1       -1.777  -1.822   0.763  0.00  0.00    +0.032 C 
ATOM     34  C   LIG    1       -1.231  -2.978  -0.078  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1       -1.307  -1.933   2.213  0.00  0.00    +0.014 C 
ENDBRANCH   2  33
TORSDOF 5