REMARK  Name = BDB040417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.575  -1.110  -0.810  0.00  0.00    +0.223 C 
ATOM      2  N   LIG    1        1.201   0.216  -0.894  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.438   0.846  -0.139  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.250  -1.937  -1.660  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        2.771  -2.979   0.404  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1        2.435  -1.469   0.430  0.00  0.00    +0.069 C 
ATOM      7  C   LIG    1        1.544  -1.241   1.671  0.00  0.00    +0.025 C 
BRANCH   6   8
ATOM      8  C   LIG    1        3.753  -0.674   0.395  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        4.190   0.162   1.431  0.00  0.00    +0.128 A 
ATOM     10  F   LIG    1        3.458   0.327   2.540  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        5.392   0.864   1.355  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        6.201   0.755   0.223  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        5.799  -0.079  -0.824  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        4.589  -0.779  -0.738  0.00  0.00    +0.008 A 
BRANCH  12  15
ATOM     15  C   LIG    1        7.474   1.521   0.192  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1        7.972   1.974   1.215  0.00  0.00    -0.270 OA
ATOM     17  N   LIG    1        8.059   1.740  -1.024  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        8.862   2.357  -1.022  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        7.571   1.621  -1.899  0.00  0.00    +0.145 HD
ENDBRANCH  12  15
ENDBRANCH   6   8
ENDBRANCH   1   6
BRANCH   2  20
ATOM     20  C   LIG    1        0.308   0.697  -1.921  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.110   0.729  -1.414  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1       -1.634   1.875  -0.814  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -2.946   1.891  -0.320  0.00  0.00    +0.047 A 
ATOM     24 CL   LIG    1       -3.451   3.367   0.434  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -3.785   0.759  -0.412  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.228  -0.400  -0.994  0.00  0.00    +0.047 A 
ATOM     27 CL   LIG    1       -4.091  -1.897  -1.125  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -1.915  -0.411  -1.486  0.00  0.00    +0.025 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -5.217   0.805   0.118  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1       -6.261   0.355  -0.902  0.00  0.00    +0.227 C 
ATOM     31  O   LIG    1       -6.186   0.616  -2.101  0.00  0.00    -0.275 OA
ATOM     32  N   LIG    1       -7.363  -0.297  -0.402  0.00  0.00    -0.256 N 
ATOM     33  H   LIG    1       -8.054  -0.575  -1.086  0.00  0.00    +0.157 HD
ATOM     34  C   LIG    1       -7.752  -0.399   0.909  0.00  0.00    +0.219 C 
ATOM     35  O   LIG    1       -8.862  -0.829   1.210  0.00  0.00    -0.275 OA
ATOM     36  C   LIG    1       -6.788   0.131   1.942  0.00  0.00    +0.097 C 
ATOM     37  C   LIG    1       -5.352   0.053   1.447  0.00  0.00    +0.027 C 
ENDBRANCH  25  29
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6