REMARK  Name = BDB008248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.210  -0.067   0.197  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.417   1.018   0.074  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1       -0.921   0.841   0.062  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.508  -0.406   0.171  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.679  -1.521   0.286  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.704  -1.350   0.307  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.255  -2.853   0.410  0.00  0.00    +0.075 A 
ATOM      8  N   LIG    1       -1.561  -3.731  -0.627  0.00  0.00    -0.283 N 
ATOM      9  C   LIG    1       -2.089  -4.873  -0.008  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1       -2.496  -5.957  -0.835  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -2.370  -5.868  -2.170  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -1.822  -4.678  -2.793  0.00  0.00    +0.039 A 
ATOM     13  N   LIG    1       -2.127  -4.758   1.301  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1       -1.430  -3.639  -2.029  0.00  0.00    +0.115 A 
ATOM     15 CL   LIG    1       -0.784  -2.245  -2.820  0.00  0.00    -0.063 Cl
ATOM     16  C   LIG    1       -1.616  -3.521   1.566  0.00  0.00    +0.140 A 
ENDBRANCH   5   7
BRANCH   1  18
ATOM     17  C   LIG    1        3.648  -0.604   0.372  0.00  0.00    +0.235 C 
ATOM     18  N   LIG    1        2.569   0.233   0.193  0.00  0.00    -0.269 N 
ATOM     19  H   LIG    1        2.782   1.224   0.142  0.00  0.00    +0.156 HD
ATOM     20  O   LIG    1        3.599  -1.816   0.558  0.00  0.00    -0.274 OA
BRANCH  17  21
ATOM     21  C   LIG    1        4.990   0.159   0.239  0.00  0.00    +0.137 C 
ATOM     22  C   LIG    1        6.171  -0.655   0.761  0.00  0.00    +0.034 C 
BRANCH  21  24
ATOM     23  C   LIG    1        4.798   1.537   2.276  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1        4.892   1.526   0.817  0.00  0.00    -0.309 NA
ATOM     25  H   LIG    1        5.732   2.044   0.551  0.00  0.00    +0.122 HD
ENDBRANCH  21  24
ENDBRANCH  17  21
ENDBRANCH   1  18
BRANCH   3  26
ATOM     26  N   LIG    1       -1.639   2.027  -0.069  0.00  0.00    -0.265 N 
ATOM     27  H   LIG    1       -1.062   2.860  -0.136  0.00  0.00    +0.157 HD
ATOM     28  C   LIG    1       -2.999   2.216  -0.127  0.00  0.00    +0.268 C 
ATOM     29  O   LIG    1       -3.866   1.352  -0.072  0.00  0.00    -0.268 OA
BRANCH  28  30
ATOM     30  C   LIG    1       -3.385   3.658  -0.275  0.00  0.00    +0.126 A 
ATOM     31  N   LIG    1       -2.358   4.555  -0.331  0.00  0.00    -0.249 NA
ATOM     32  C   LIG    1       -2.707   5.859  -0.465  0.00  0.00    +0.131 A 
ATOM     33  C   LIG    1       -4.019   6.306  -0.545  0.00  0.00    +0.059 A 
ATOM     34 CL   LIG    1       -4.370   7.976  -0.715  0.00  0.00    -0.082 Cl
ATOM     35  C   LIG    1       -5.045   5.369  -0.486  0.00  0.00    +0.024 A 
ATOM     36  C   LIG    1       -4.728   4.018  -0.348  0.00  0.00    +0.034 A 
ENDBRANCH  28  30
ENDBRANCH   3  26
TORSDOF 6