REMARK  Name = BDB040573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.463  -1.399  -1.727  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.996  -1.027  -1.765  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.945  -1.809  -1.101  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.303  -1.458  -1.108  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        4.355  -2.508  -0.219  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.761  -0.306  -1.786  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.784   0.491  -2.419  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        3.172   1.976  -3.227  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.427   0.135  -2.409  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.237   0.091  -1.828  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.157  -1.028  -2.313  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        5.851  -1.808  -3.214  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        7.410  -1.076  -1.751  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        8.014  -1.812  -2.094  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        8.021  -0.115  -0.985  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        9.218  -0.182  -0.720  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        7.170   1.065  -0.578  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.702   0.678  -0.489  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.286  -1.389   0.604  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -1.118  -0.761  -0.611  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.381   0.215  -0.701  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -0.968  -2.562   0.789  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -1.898  -0.510   1.715  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -0.913   0.642   2.019  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1       -2.044  -1.332   3.014  0.00  0.00    +0.027 C 
BRANCH  23  29
ATOM     26  C   LIG    1       -5.679   0.868   0.361  0.00  0.00    +0.085 A 
ATOM     27  N   LIG    1       -5.557  -0.456   0.636  0.00  0.00    -0.254 NA
ATOM     28  C   LIG    1       -4.341  -0.863   1.075  0.00  0.00    +0.135 A 
ATOM     29  C   LIG    1       -3.260   0.002   1.252  0.00  0.00    +0.074 A 
ATOM     30  N   LIG    1       -3.382   1.321   0.942  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1       -4.602   1.732   0.513  0.00  0.00    +0.136 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -7.006   1.376  -0.139  0.00  0.00    +0.216 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -8.130   2.024   1.845  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1       -7.501   2.467   0.645  0.00  0.00    -0.377 OA
ENDBRANCH  32  34
ENDBRANCH  26  32
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 7