REMARK  Name = BDB012490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.417  -4.462   1.743  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.568  -3.359   0.762  0.00  0.00    -0.021 A 
ATOM      3  C   LIG    1       -1.614  -2.381   0.437  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -0.280  -1.941   0.746  0.00  0.00    +0.254 C 
ATOM      5  N   LIG    1       -0.043  -0.801  -0.088  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -1.244  -0.473  -0.930  0.00  0.00    +0.159 C 
ATOM      7  O   LIG    1        0.456  -2.485   1.553  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.147  -1.561  -0.507  0.00  0.00    +0.054 A 
ATOM      9  N   LIG    1       -3.408  -1.951  -0.802  0.00  0.00    -0.362 N 
ATOM     10  H   LIG    1       -4.054  -1.511  -1.447  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -3.677  -3.065  -0.027  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.172  -0.116  -0.172  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.209  -0.342   0.662  0.00  0.00    +0.118 A 
ATOM     14  N   LIG    1        3.388   0.383   0.532  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1        3.586   1.359  -0.425  0.00  0.00    +0.164 A 
ATOM     16  N   LIG    1        4.792   1.867  -0.294  0.00  0.00    -0.129 NA
ATOM     17  N   LIG    1        5.406   1.228   0.757  0.00  0.00    -0.134 NA
ATOM     18  C   LIG    1        2.523   1.632  -1.341  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1        2.648   2.670  -2.427  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1        4.564   0.341   1.249  0.00  0.00    +0.135 A 
ATOM     21  C   LIG    1        4.812  -0.571   2.387  0.00  0.00    +0.088 C 
ATOM     22  C   LIG    1        1.380   0.914  -1.205  0.00  0.00    +0.032 A 
ENDBRANCH   5  12
BRANCH   6  23
ATOM     23  C   LIG    1       -1.852   0.895  -0.673  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1       -1.944   1.437   0.622  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -2.523   2.691   0.831  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -3.024   3.412  -0.249  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -3.738   4.955   0.008  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -2.954   2.889  -1.538  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -2.376   1.634  -1.749  0.00  0.00    +0.007 A 
ENDBRANCH   6  23
TORSDOF 2