REMARK  Name = BDB054664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.007  -1.097  -0.436  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -0.968  -0.113  -0.068  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -2.164  -0.667   0.168  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -2.027  -1.981  -0.136  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.737  -2.269  -0.505  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.807   1.336   0.062  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -0.147   2.078  -0.928  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        0.008   3.462  -0.794  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -0.511   4.110   0.334  0.00  0.00    +0.126 A 
ATOM     10  C   LIG    1       -1.183   3.383   1.324  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -1.332   2.000   1.182  0.00  0.00    +0.012 A 
BRANCH   9  12
ATOM     12  N   LIG    1       -0.351   5.563   0.478  0.00  0.00    +0.056 N 
ATOM     13  O   LIG    1       -0.787   6.090   1.511  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1        0.220   6.173  -0.436  0.00  0.00    -0.126 OA
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   4  15
ATOM     15  C   LIG    1       -3.133  -2.872  -0.043  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1       -4.383  -2.379   0.364  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -5.481  -3.236   0.463  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -5.341  -4.588   0.158  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.103  -5.085  -0.248  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -2.999  -4.234  -0.350  0.00  0.00    +0.028 A 
ENDBRANCH   4  15
BRANCH   1  22
ATOM     21  O   LIG    1        1.933  -1.768  -1.537  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1        1.419  -1.007  -0.726  0.00  0.00    +0.252 C 
ATOM     23  N   LIG    1        2.084  -0.052   0.020  0.00  0.00    -0.281 N 
ATOM     24  H   LIG    1        1.548   0.410   0.743  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.441   0.320  -0.065  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        4.341  -0.207  -0.993  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        5.672   0.226  -1.016  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        6.106   1.190  -0.111  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        7.742   1.721  -0.140  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        5.220   1.727   0.818  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        3.891   1.292   0.839  0.00  0.00    +0.025 A 
ENDBRANCH  23  25
ENDBRANCH   1  22
TORSDOF 5