REMARK  Name = BDB029252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.977  -0.272  -0.855  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1        0.137   0.938  -1.088  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -1.358   0.732  -0.716  0.00  0.00    +0.135 C 
ATOM      4  N   LIG    1       -1.925  -0.505  -1.285  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -3.310  -0.557  -1.409  0.00  0.00    +0.226 C 
ATOM      6  O   LIG    1       -4.023   0.425  -1.181  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.094  -1.701  -1.070  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1        0.380  -1.483  -1.470  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1        2.589  -1.121   0.753  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        1.317  -0.540   0.495  0.00  0.00    +0.143 A 
ATOM     11  N   LIG    1        0.453  -0.246   1.488  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1        0.820  -0.565   2.753  0.00  0.00    +0.133 A 
ATOM     13  C   LIG    1        2.015  -1.181   3.082  0.00  0.00    +0.061 A 
ATOM     14 CL   LIG    1        2.383  -1.579   4.711  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1        2.908  -1.481   2.063  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     16  N   LIG    1        3.443  -1.506  -0.310  0.00  0.00    -0.355 N 
ATOM     17  H   LIG    1        4.427  -1.446  -0.069  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1        3.208  -0.942  -1.130  0.00  0.00    +0.142 HD
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1        0.819   2.205  -0.577  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1        0.342   2.939   0.520  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        1.008   4.089   0.955  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        2.159   4.516   0.300  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        2.978   5.930   0.839  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        2.655   3.801  -0.786  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        1.990   2.652  -1.220  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   5  26
ATOM     26  C   LIG    1       -3.945  -1.829  -1.910  0.00  0.00    +0.216 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.277  -2.798  -0.823  0.00  0.00    +0.314 C 
ATOM     28  O   LIG    1       -3.823  -2.836   0.307  0.00  0.00    -0.250 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -5.139  -3.750  -1.238  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1       -5.278  -4.312  -0.446  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6