REMARK  Name = BDB046114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.120  -0.060  -0.148  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.959   0.153   0.966  0.00  0.00    +0.081 A 
ATOM      3  C   LIG    1       -2.355   0.225   0.810  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -2.951   0.033  -0.442  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.116  -0.216  -1.537  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.721  -0.257  -1.393  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.401   0.090  -0.607  0.00  0.00    +0.135 A 
ATOM      8  O   LIG    1       -5.137   0.189   0.543  0.00  0.00    -0.463 OA
ATOM      9  C   LIG    1       -6.446   0.226   0.187  0.00  0.00    +0.196 A 
ATOM     10  C   LIG    1       -6.574   0.149  -1.179  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -5.257   0.060  -1.692  0.00  0.00    +0.050 A 
ENDBRANCH   4   7
BRANCH   1  14
ATOM     12  O   LIG    1        2.109  -0.498  -2.110  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        2.267  -0.278  -0.915  0.00  0.00    +0.250 C 
ATOM     14  N   LIG    1        1.286  -0.063   0.029  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        1.602   0.166   0.975  0.00  0.00    +0.155 HD
BRANCH  13  16
ATOM     16  C   LIG    1        3.660  -0.164  -0.412  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        4.131  -0.816   0.737  0.00  0.00    +0.054 A 
ATOM     18 CL   LIG    1        3.152  -1.885   1.677  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        5.460  -0.645   1.141  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        6.316   0.162   0.395  0.00  0.00    +0.042 A 
ATOM     21 CL   LIG    1        7.949   0.365   0.895  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        5.864   0.797  -0.760  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        4.539   0.631  -1.166  0.00  0.00    +0.016 A 
ENDBRANCH  13  16
ENDBRANCH   1  14
BRANCH   2  24
ATOM     24  C   LIG    1       -0.371   0.325   2.319  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1        0.705   0.872   2.503  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -1.089  -0.241   3.311  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -1.825  -0.814   3.022  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH   2  24
TORSDOF 5