REMARK  Name = BDB061962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.501   0.216  -0.181  0.00  0.00    +0.228 A 
ATOM      2  O   LIG    1       -2.009   0.959  -1.228  0.00  0.00    -0.435 OA
ATOM      3  C   LIG    1       -0.657   0.819  -1.125  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1       -0.396   0.009  -0.036  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1        0.935  -0.290   0.286  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        1.963   0.246  -0.514  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        1.643   1.064  -1.608  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        0.315   1.373  -1.944  0.00  0.00    +0.050 A 
ATOM      9  N   LIG    1       -1.573  -0.369   0.558  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -6.759   0.065   0.309  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1       -5.910  -0.622   1.183  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.523  -0.565   1.014  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -3.954   0.176  -0.032  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -4.811   0.858  -0.908  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -6.199   0.801  -0.741  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -8.854  -1.175  -0.294  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -8.255  -0.010   0.479  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1        3.285  -0.086  -0.142  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1        3.369  -0.693   0.666  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        4.457   0.275  -0.776  0.00  0.00    +0.250 C 
ATOM     21  O   LIG    1        4.560   0.975  -1.778  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        5.723  -0.190  -0.138  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1        5.902  -1.447   0.461  0.00  0.00    +0.053 A 
ATOM     24 CL   LIG    1        4.672  -2.659   0.522  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        7.141  -1.785   1.025  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        8.209  -0.885   0.991  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        8.037   0.363   0.384  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1        6.804   0.712  -0.182  0.00  0.00    +0.047 A 
BRANCH  27  29
ATOM     29  N   LIG    1        9.156   1.313   0.343  0.00  0.00    +0.056 N 
ATOM     30  O   LIG    1        8.926   2.456  -0.072  0.00  0.00    -0.126 OA
ATOM     31  O   LIG    1       10.261   0.913   0.735  0.00  0.00    -0.126 OA
ENDBRANCH  27  29
ENDBRANCH  20  22
ENDBRANCH   6  18
TORSDOF 5