REMARK  Name = BDB024972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.026  -0.178   0.260  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        3.863  -0.872  -0.103  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.033  -2.306  -0.377  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        3.742  -3.150   0.868  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.225  -2.726  -1.601  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.752  -2.447  -1.395  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.504  -1.081  -0.817  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.198  -0.539  -0.870  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.927  -1.080  -1.430  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.909  -0.227  -1.214  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1       -1.437   0.894  -0.548  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1       -0.088   0.693  -0.301  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.891   1.433   0.359  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.184   0.892   0.416  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.526  -0.334  -0.176  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.077  -0.736   0.569  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.192   2.077  -0.186  0.00  0.00    +0.104 C 
ATOM     18  C   LIG    1       -1.712   3.367  -0.857  0.00  0.00    +0.106 C 
ATOM     19  N   LIG    1       -2.196   4.415   0.046  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -1.695   5.289  -0.109  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -1.937   3.900   1.391  0.00  0.00    +0.083 C 
ATOM     22  C   LIG    1       -2.248   2.411   1.310  0.00  0.00    +0.041 C 
ENDBRANCH  11  17
BRANCH   1  24
ATOM     23  C   LIG    1        6.136   1.881   0.466  0.00  0.00    +0.282 C 
ATOM     24  O   LIG    1        4.931   1.179   0.164  0.00  0.00    -0.453 OA
ENDBRANCH   1  24
BRANCH  10  25
ATOM     25  C   LIG    1       -3.321  -0.532  -1.650  0.00  0.00    +0.073 C 
ATOM     26  C   LIG    1       -3.781   0.367  -2.797  0.00  0.00    +0.017 C 
BRANCH  25  27
ATOM     27  C   LIG    1       -4.350  -0.597  -0.516  0.00  0.00    +0.154 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.911  -1.358   0.638  0.00  0.00    -0.269 N 
ATOM     29  N   LIG    1       -3.655  -0.715   1.797  0.00  0.00    -0.178 NA
ATOM     30  C   LIG    1       -3.265  -1.699   2.616  0.00  0.00    +0.154 A 
ATOM     31  C   LIG    1       -3.305  -2.958   1.993  0.00  0.00    +0.078 A 
ATOM     32 CL   LIG    1       -2.898  -4.442   2.692  0.00  0.00    -0.080 Cl
ATOM     33  C   LIG    1       -3.744  -2.710   0.717  0.00  0.00    +0.128 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  10  25
TORSDOF 5