REMARK  Name = BDB018564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.095   0.261  -2.125  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.359   0.448  -1.982  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.083   0.600  -3.111  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.518   0.601  -4.374  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.392   0.782  -5.524  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        0.846   0.448  -4.575  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        1.408   0.455  -5.666  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.657   0.260  -3.348  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.750  -0.356   1.095  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1        3.789   0.830   0.452  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1        2.928   0.988  -0.580  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1        2.021   0.017  -1.002  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.014  -1.198  -0.313  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.891  -1.389   0.752  0.00  0.00    +0.068 A 
BRANCH   9  15
ATOM     15  O   LIG    1        4.596  -0.597   2.158  0.00  0.00    -0.477 OA
BRANCH  15  17
ATOM     16  C   LIG    1        6.322   0.115   3.640  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1        5.451   0.507   2.459  0.00  0.00    +0.227 C 
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -1.007   0.468  -0.701  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -2.157  -0.214  -0.366  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1       -2.466   0.104   0.939  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1       -1.499   0.895   1.478  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -0.651   1.140   0.479  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.577  -0.301   1.745  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1       -4.793  -0.796   1.227  0.00  0.00    +0.095 A 
ATOM     25  C   LIG    1       -5.797  -1.209   2.128  0.00  0.00    +0.060 A 
ATOM     26 CL   LIG    1       -7.317  -1.844   1.588  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1       -5.614  -1.111   3.511  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -4.432  -0.588   4.018  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -3.425  -0.182   3.144  0.00  0.00    +0.029 A 
BRANCH  24  30
ATOM     30  C   LIG    1       -5.097  -0.812  -0.175  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -5.328  -0.814  -1.313  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 6