REMARK  Name = BDB040415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.297   1.280  -1.877  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.055   1.315  -1.216  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.338   2.234  -0.204  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.590   2.242   0.428  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.788   3.410   1.693  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.607   1.332   0.068  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.292   0.391  -0.937  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.396  -0.839  -1.454  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.038   0.387  -1.565  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.968   1.370   0.760  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.146   1.447  -0.209  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -6.120   2.105  -1.247  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -7.298   0.807   0.179  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -8.077   0.884  -0.462  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.601   0.308   1.420  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.743  -0.042   1.702  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.485   0.306   2.436  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.124   0.222   1.764  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.360  -0.938  -1.629  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.168   0.356  -1.191  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.598   0.658  -0.326  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        0.848  -1.363  -2.662  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        2.442  -3.205  -1.343  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        2.245  -1.814  -0.702  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        1.445  -2.019   0.604  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.629  -1.171  -0.503  0.00  0.00    -0.031 A 
ATOM     27  C   LIG    1        4.200  -0.963   0.765  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        5.453  -0.378   0.933  0.00  0.00    +0.089 A 
ATOM     29  C   LIG    1        6.190   0.021  -0.207  0.00  0.00    +0.089 A 
ATOM     30  N   LIG    1        7.405   0.594  -0.095  0.00  0.00    -0.252 NA
ATOM     31  C   LIG    1        7.876   0.760   1.159  0.00  0.00    +0.131 A 
ATOM     32  C   LIG    1        7.158   0.372   2.271  0.00  0.00    +0.131 A 
ATOM     33  C   LIG    1        5.640  -0.187  -1.462  0.00  0.00    +0.030 A 
ATOM     34  N   LIG    1        5.937  -0.199   2.178  0.00  0.00    -0.252 NA
ATOM     35  C   LIG    1        4.382  -0.774  -1.618  0.00  0.00    +0.007 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5