REMARK  Name = BDB036182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.452   1.054  -1.803  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.664   1.746  -2.491  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        2.013   1.721  -1.735  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.447   0.331  -1.520  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        1.363  -0.638  -1.245  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.060   0.076  -0.813  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.710   0.054  -1.002  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.415  -1.139  -1.281  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1        3.888  -2.171  -2.239  0.00  0.00    +0.067 C 
ATOM     10  N   LIG    1        5.633  -1.442  -0.752  0.00  0.00    -0.245 NA
ATOM     11  C   LIG    1        6.217  -0.530   0.056  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        5.632   0.687   0.363  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.376   0.970  -0.174  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.559  -0.897   0.617  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        7.785  -0.513   1.933  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.983  -0.273   2.501  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.982  -0.941   2.612  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.386  -1.511  -0.048  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.382   2.014  -1.183  0.00  0.00    +0.121 C 
BRANCH  19  28
ATOM     20  C   LIG    1       -6.789  -0.510   1.555  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1       -6.119   0.215   2.698  0.00  0.00    +0.182 C 
ATOM     22  O   LIG    1       -6.720   0.348   3.757  0.00  0.00    -0.290 OA
ATOM     23  C   LIG    1       -4.713   0.680   2.482  0.00  0.00    +0.119 C 
ATOM     24  C   LIG    1       -4.283   0.729   1.042  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.092   0.131   0.069  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -4.695   0.159  -1.268  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -3.504   0.771  -1.649  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -2.666   1.369  -0.694  0.00  0.00    -0.015 A 
ATOM     29  C   LIG    1       -3.064   1.336   0.656  0.00  0.00    +0.051 A 
ATOM     30 CL   LIG    1       -2.045   2.030   1.881  0.00  0.00    -0.083 Cl
ATOM     31  N   LIG    1       -6.293  -0.525   0.358  0.00  0.00    -0.248 NA
BRANCH  20  33
ATOM     32  C   LIG    1       -8.655  -2.028   0.732  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -8.092  -1.210   1.881  0.00  0.00    +0.055 C 
ENDBRANCH  20  33
ENDBRANCH  19  28
ENDBRANCH   1  19
TORSDOF 5