REMARK  Name = BDB040583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.274   0.734  -1.805  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.190   0.833  -1.465  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        2.079  -0.169  -1.862  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.443  -0.087  -1.557  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        4.426  -1.391  -2.139  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.968   1.002  -0.825  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.048   1.982  -0.395  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        3.518   3.346   0.568  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.685   1.900  -0.712  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.455   1.131  -0.500  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.348   1.079  -1.740  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        6.039   1.591  -2.815  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        7.583   0.496  -1.579  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        8.169   0.474  -2.404  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        8.199   0.145  -0.405  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        9.374  -0.208  -0.386  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        7.385   0.312   0.856  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.902   0.129   0.572  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.199  -1.200  -0.568  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -1.022   0.161  -0.713  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.518   0.784  -0.079  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -0.740  -2.011  -1.369  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.080  -3.163   0.751  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -2.008  -1.621   0.678  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1       -1.255  -1.155   1.946  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.394  -0.982   0.592  0.00  0.00    +0.074 A 
ATOM     27  N   LIG    1       -3.553   0.257   1.136  0.00  0.00    -0.256 NA
ATOM     28  C   LIG    1       -4.782   0.820   1.001  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1       -5.849   0.218   0.335  0.00  0.00    +0.062 A 
ATOM     30  N   LIG    1       -5.669  -0.999  -0.238  0.00  0.00    -0.256 NA
ATOM     31  C   LIG    1       -4.446  -1.572  -0.105  0.00  0.00    +0.135 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -7.191   0.897   0.223  0.00  0.00    +0.039 C 
ATOM     33  C   LIG    1       -8.048   1.080   1.458  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -8.465   0.098   0.403  0.00  0.00    +0.010 C 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6