REMARK  Name = BDB019721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.374   0.937  -2.122  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.579   0.747  -1.437  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.410   1.836  -1.112  0.00  0.00    -0.011 A 
ATOM      4  C   LIG    1       -2.008   3.121  -1.505  0.00  0.00    +0.046 A 
ATOM      5 CL   LIG    1       -2.937   4.526  -1.122  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -0.817   3.308  -2.219  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        0.002   2.220  -2.528  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.031  -1.337  -2.614  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.481  -0.249  -2.379  0.00  0.00    +0.244 C 
ATOM     10  N   LIG    1        1.840  -0.043  -2.268  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1        2.159   0.822  -1.853  0.00  0.00    +0.149 HD
BRANCH  10  12
ATOM     12  C   LIG    1        2.759  -1.159  -2.238  0.00  0.00    +0.140 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.073  -1.546  -0.815  0.00  0.00    -0.028 A 
ATOM     14  C   LIG    1        4.263  -1.126  -0.202  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        4.524  -1.460   1.128  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1        5.991  -0.939   1.862  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        3.610  -2.205   1.868  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        2.424  -2.618   1.266  0.00  0.00    +0.043 A 
ATOM     19 CL   LIG    1        1.279  -3.527   2.175  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1        2.153  -2.295  -0.064  0.00  0.00    +0.025 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -3.652   1.575  -0.291  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.361   1.679   1.129  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -3.029   2.609   1.373  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.631   0.755   1.791  0.00  0.00    +0.176 C 
ATOM     25  N   LIG    1       -2.913  -0.554   1.564  0.00  0.00    -0.316 N 
ATOM     26  H   LIG    1       -3.906  -0.744   1.508  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -2.203  -1.318   2.569  0.00  0.00    +0.127 C 
ATOM     28  C   LIG    1       -1.187  -0.288   3.074  0.00  0.00    +0.163 C 
ATOM     29  N   LIG    1       -1.696   1.046   2.647  0.00  0.00    -0.255 NA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6