REMARK  Name = BDB007861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.050  -0.736  -0.175  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.026  -1.442   0.347  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1       -0.211  -0.872   0.391  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1       -1.324  -1.670   0.993  0.00  0.00    +0.172 C 
ATOM      5  N   LIG    1       -2.625  -1.327   0.437  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1       -2.934   0.036   0.243  0.00  0.00    +0.318 C 
ATOM      7  N   LIG    1       -1.827   0.903   0.062  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -4.096   0.451   0.256  0.00  0.00    -0.251 OA
ATOM      9  C   LIG    1       -0.490   0.413  -0.034  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        0.578   1.112  -0.598  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        1.856   0.539  -0.668  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.047   2.314  -0.084  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -1.276   3.240   0.643  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.497   4.615   0.517  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -2.499   5.080  -0.330  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -2.770   6.771  -0.487  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -3.285   4.181  -1.045  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -3.063   2.806  -0.917  0.00  0.00    +0.025 A 
ENDBRANCH   7  12
BRANCH   5  19
ATOM     19  C   LIG    1       -3.661  -2.329   0.441  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -3.560  -3.495   1.221  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -4.562  -4.474   1.195  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -5.677  -4.307   0.383  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -6.905  -5.511   0.351  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -5.798  -3.170  -0.405  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1       -4.795  -2.192  -0.376  0.00  0.00    +0.025 A 
ENDBRANCH   5  19
BRANCH   1  27
ATOM     26  C   LIG    1        4.540  -1.248  -0.496  0.00  0.00    +0.235 C 
ATOM     27  N   LIG    1        3.239  -1.456  -0.158  0.00  0.00    -0.269 N 
ATOM     28  H   LIG    1        3.089  -2.400   0.180  0.00  0.00    +0.156 HD
ATOM     29  O   LIG    1        5.301  -2.217  -0.389  0.00  0.00    -0.274 OA
BRANCH  26  30
ATOM     30  C   LIG    1        5.067   0.127  -0.942  0.00  0.00    +0.137 C 
ATOM     31  C   LIG    1        6.449   0.011  -1.596  0.00  0.00    +0.034 C 
BRANCH  30  33
ATOM     32  C   LIG    1        6.060   0.832   1.206  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1        5.045   1.091   0.188  0.00  0.00    -0.309 NA
ATOM     34  H   LIG    1        4.136   1.050   0.645  0.00  0.00    +0.122 HD
ENDBRANCH  30  33
ENDBRANCH  26  30
ENDBRANCH   1  27
TORSDOF 5