REMARK  Name = BDB040382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.560   1.445  -0.072  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.332   0.706   0.827  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.577   0.172   0.458  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.404  -0.676   1.716  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.094   0.350  -0.843  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.304   1.120  -1.732  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -2.813   1.492  -3.349  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.059   1.647  -1.357  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.434  -0.206  -1.328  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.805  -1.597  -0.833  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -4.102  -2.583  -1.050  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.971  -1.715  -0.115  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -6.190  -2.649   0.205  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.691  -0.712   0.481  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.588  -0.966   1.281  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.273   0.703   0.164  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.597   0.785  -1.192  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.790   1.974   0.334  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.223   0.265   1.414  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        1.774   0.920   0.286  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.164   0.656  -0.614  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.827   0.577   2.537  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        2.422  -2.024   0.408  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        3.182  -0.915   1.163  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1        3.629  -1.498   2.520  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.378  -0.449   0.338  0.00  0.00    +0.143 A 
ATOM     27  N   LIG    1        5.595  -0.391   0.917  0.00  0.00    -0.238 NA
ATOM     28  C   LIG    1        6.631   0.022   0.153  0.00  0.00    +0.133 A 
ATOM     29  C   LIG    1        6.503   0.379  -1.167  0.00  0.00    +0.088 A 
ATOM     30  C   LIG    1        5.230   0.293  -1.678  0.00  0.00    +0.133 A 
ATOM     31  N   LIG    1        4.158  -0.109  -0.956  0.00  0.00    -0.238 NA
BRANCH  29  32
ATOM     32  C   LIG    1        7.608   0.809  -1.950  0.00  0.00    +0.102 C 
ATOM     33  N   LIG    1        8.506   1.161  -2.594  0.00  0.00    -0.191 NA
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6