REMARK  Name = BDB022189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.733   0.154  -2.169  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.444   0.940  -0.946  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -2.210   1.086  -0.269  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.845   0.545  -0.519  0.00  0.00    +0.083 C 
ATOM      5  C   LIG    1        0.211   1.405   0.228  0.00  0.00    +0.171 C 
ATOM      6  C   LIG    1       -0.263   1.915   1.618  0.00  0.00    +0.240 C 
ATOM      7  N   LIG    1       -1.581   2.295   1.750  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -1.861   2.732   2.620  0.00  0.00    +0.156 HD
ATOM      9  O   LIG    1        0.524   2.067   2.557  0.00  0.00    -0.273 OA
ATOM     10  C   LIG    1       -2.489   1.903   0.799  0.00  0.00    +0.127 A 
ATOM     11  N   LIG    1       -3.823   2.180   0.743  0.00  0.00    -0.253 N 
ATOM     12  C   LIG    1       -4.612   2.975   1.650  0.00  0.00    +0.174 C 
ATOM     13  N   LIG    1       -4.425   1.610  -0.323  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -0.890  -0.927  -0.123  0.00  0.00    -0.036 A 
ATOM     15  C   LIG    1       -1.176  -1.365   1.183  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -1.178  -2.728   1.489  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -1.531  -3.238   3.095  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -0.893  -3.676   0.511  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -0.600  -3.260  -0.785  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -0.597  -1.899  -1.098  0.00  0.00    +0.004 A 
ENDBRANCH   4  14
BRANCH   5  21
ATOM     21  N   LIG    1        1.518   0.765   0.386  0.00  0.00    -0.299 N 
ATOM     22  H   LIG    1        1.940   0.842   1.307  0.00  0.00    +0.150 HD
ATOM     23  C   LIG    1        2.296   0.441  -0.699  0.00  0.00    +0.245 C 
ATOM     24  O   LIG    1        1.936   0.623  -1.857  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.638  -0.134  -0.407  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.652   0.021  -1.362  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        5.923  -0.510  -1.131  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        6.178  -1.205   0.050  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        7.742  -1.861   0.335  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        5.172  -1.378   1.000  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        3.898  -0.846   0.772  0.00  0.00    +0.014 A 
ENDBRANCH  23  25
ENDBRANCH   5  21
TORSDOF 3