REMARK  Name = BDB032552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.492   0.229  -0.865  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1       -0.958  -0.224  -2.063  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -1.519  -0.342  -3.135  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.450  -0.545  -1.806  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.420  -0.973  -2.693  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        2.696  -1.213  -2.178  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        2.957  -1.028  -0.809  0.00  0.00    +0.162 A 
ATOM      8  O   LIG    1        4.235  -1.303  -0.393  0.00  0.00    -0.485 OA
ATOM      9  C   LIG    1        4.290  -1.490   1.025  0.00  0.00    +0.276 C 
ATOM     10  C   LIG    1        3.545  -0.386   1.774  0.00  0.00    +0.236 C 
ATOM     11  O   LIG    1        2.159  -0.335   1.394  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        1.959  -0.572   0.064  0.00  0.00    +0.168 A 
ATOM     13  C   LIG    1        0.698  -0.344  -0.449  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -0.545   0.104   0.238  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  21
ATOM     15  O   LIG    1       -6.421   0.545   1.504  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.431   0.519   0.779  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.877  -0.671   0.379  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -5.297  -1.492   0.796  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.586  -0.847  -0.064  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -3.037  -1.941   0.048  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.927   0.401  -0.676  0.00  0.00    +0.163 C 
ATOM     22  C   LIG    1       -3.261   1.613   0.189  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.771   1.777   0.266  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
BRANCH  10  24
ATOM     24  C   LIG    1        4.189   0.997   1.609  0.00  0.00    +0.203 C 
BRANCH  24  25
ATOM     25  O   LIG    1        5.459   1.053   2.251  0.00  0.00    -0.391 OA
ATOM     26  H   LIG    1        5.303   1.171   3.204  0.00  0.00    +0.210 HD
ENDBRANCH  24  25
ENDBRANCH  10  24
TORSDOF 3