REMARK  Name = BDB040561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.035   0.770  -1.160  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.776  -0.414  -1.112  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -3.013  -0.467  -0.456  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.827  -1.995  -0.510  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.552   0.668   0.188  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.797   1.858   0.118  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -3.342   3.352   0.806  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.558   1.905  -0.537  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.891   0.636   0.923  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.984  -0.469   1.974  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -4.038  -0.803   2.684  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -6.224  -1.031   2.161  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -6.276  -1.750   2.870  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.429  -0.581   1.684  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.487  -1.054   2.088  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -7.381   0.579   0.720  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -6.072   0.601  -0.053  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.312   0.802  -1.831  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        1.768  -1.027  -1.022  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.327   0.278  -0.947  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.624   0.857  -0.170  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.398  -1.792  -1.911  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.767  -1.447   0.076  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1        2.064  -1.325   1.446  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1        3.158  -2.929  -0.104  0.00  0.00    +0.027 C 
BRANCH  23  29
ATOM     26  C   LIG    1        6.222   0.975  -0.257  0.00  0.00    +0.233 A 
ATOM     27  N   LIG    1        5.899   0.220  -1.328  0.00  0.00    -0.218 NA
ATOM     28  C   LIG    1        4.791  -0.548  -1.183  0.00  0.00    +0.139 A 
ATOM     29  C   LIG    1        4.016  -0.574  -0.020  0.00  0.00    +0.074 A 
ATOM     30  N   LIG    1        4.346   0.207   1.042  0.00  0.00    -0.252 NA
ATOM     31  C   LIG    1        5.461   0.968   0.900  0.00  0.00    +0.178 A 
BRANCH  26  33
ATOM     32  C   LIG    1        8.053   1.706  -1.511  0.00  0.00    +0.279 C 
ATOM     33  O   LIG    1        7.330   1.794  -0.287  0.00  0.00    -0.479 OA
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6