REMARK  Name = BDB007845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.400   0.769   0.921  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.543   0.248   0.034  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1        0.220   0.222   0.355  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -0.732  -0.380  -0.630  0.00  0.00    +0.167 C 
ATOM      5  N   LIG    1       -2.034   0.271  -0.577  0.00  0.00    -0.276 N 
ATOM      6  C   LIG    1       -2.620   0.427   0.691  0.00  0.00    +0.314 C 
ATOM      7  N   LIG    1       -1.720   0.586   1.771  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -3.846   0.429   0.818  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1       -0.307   0.664   1.560  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        0.605   1.225   2.458  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        1.965   1.275   2.139  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.224   0.724   3.107  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -3.332   1.540   3.381  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -3.833   1.661   4.681  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -3.238   0.953   5.721  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.852   1.100   7.321  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.151   0.121   5.471  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -1.650   0.004   4.170  0.00  0.00    +0.025 A 
ENDBRANCH   7  12
BRANCH   5  19
ATOM     19  C   LIG    1       -2.945   0.130  -1.726  0.00  0.00    +0.078 C 
ATOM     20  C   LIG    1       -2.376   0.669  -3.052  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -2.506  -0.469  -4.059  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -2.530  -1.733  -3.217  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -3.349  -1.327  -2.002  0.00  0.00    +0.022 C 
ENDBRANCH   5  19
BRANCH   1  25
ATOM     24  C   LIG    1        4.475   0.454  -0.451  0.00  0.00    +0.235 C 
ATOM     25  N   LIG    1        3.763   0.848   0.643  0.00  0.00    -0.269 N 
ATOM     26  H   LIG    1        4.344   1.342   1.307  0.00  0.00    +0.156 HD
ATOM     27  O   LIG    1        5.663   0.805  -0.479  0.00  0.00    -0.274 OA
BRANCH  24  28
ATOM     28  C   LIG    1        3.848  -0.386  -1.594  0.00  0.00    +0.137 C 
ATOM     29  C   LIG    1        3.584  -1.825  -1.149  0.00  0.00    +0.034 C 
BRANCH  28  31
ATOM     30  C   LIG    1        5.838  -1.182  -2.856  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1        4.682  -0.295  -2.830  0.00  0.00    -0.309 NA
ATOM     32  H   LIG    1        5.025   0.667  -2.887  0.00  0.00    +0.122 HD
ENDBRANCH  28  31
ENDBRANCH  24  28
ENDBRANCH   1  25
TORSDOF 5