REMARK  Name = BDB040368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.183   0.955  -2.591  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.450   0.450  -1.953  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.524  -0.854  -1.455  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.690  -1.325  -0.838  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.628  -2.948  -0.235  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.832  -0.507  -0.697  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.728   0.818  -1.173  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -5.000   1.983  -1.006  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.558   1.284  -1.793  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.098  -1.047  -0.036  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.364  -0.831  -0.863  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -6.388  -0.903  -2.090  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -7.527  -0.630  -0.159  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -8.361  -0.503  -0.717  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.732  -0.781   1.189  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.861  -0.737   1.668  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.514  -1.092   2.024  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.254  -0.519   1.395  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.699   0.711  -1.010  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        0.712   1.489  -1.589  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.444   2.359  -1.151  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.905  -0.439  -1.395  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.015   2.760  -0.282  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        2.481   1.379   0.149  0.00  0.00    +0.083 C 
ATOM     25  C   LIG    1        1.488   1.578   1.317  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.683   0.524   0.587  0.00  0.00    +0.058 A 
ATOM     27  N   LIG    1        3.816   0.250   1.908  0.00  0.00    -0.258 NA
ATOM     28  C   LIG    1        4.893  -0.468   2.296  0.00  0.00    +0.121 A 
ATOM     29  C   LIG    1        5.885  -0.920   1.431  0.00  0.00    +0.018 A 
ATOM     30  C   LIG    1        5.755  -0.613   0.071  0.00  0.00    +0.074 A 
ATOM     31  N   LIG    1        6.675  -0.996  -0.835  0.00  0.00    -0.255 NA
ATOM     32  C   LIG    1        7.739  -1.709  -0.402  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        7.945  -2.063   0.918  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        7.001  -1.660   1.853  0.00  0.00    +0.013 A 
ATOM     35  C   LIG    1        4.648   0.113  -0.337  0.00  0.00    +0.052 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5