REMARK  Name = BDB029388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.000  -2.045  -0.395  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.974  -1.411  -0.214  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -3.683  -1.873  -0.447  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -3.495  -2.800  -0.798  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -2.740  -0.906  -0.139  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -3.379   0.243   0.314  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -2.646   1.350   0.685  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -1.248   1.278   0.590  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -0.602   0.115   0.126  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -1.367  -1.002  -0.242  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -4.863   0.027   0.308  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        0.802  -0.009   0.018  0.00  0.00    -0.281 N 
ATOM     13  H   LIG    1        1.135  -0.899  -0.328  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1        1.749   0.975   0.233  0.00  0.00    +0.248 C 
ATOM     15  O   LIG    1        1.542   2.156   0.485  0.00  0.00    -0.270 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.161   0.528   0.094  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        3.578  -0.734   0.520  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        4.912  -1.060   0.356  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        5.825  -0.229  -0.189  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        5.398   0.994  -0.570  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        4.089   1.418  -0.447  0.00  0.00    +0.033 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
TORSDOF 2