REMARK  Name = BDB032551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.502   0.148  -0.195  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1       -1.268  -0.914  -1.056  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.067  -1.525  -1.739  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.168  -1.206  -0.991  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.904  -2.126  -1.715  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        2.272  -2.204  -1.448  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        2.854  -1.377  -0.471  0.00  0.00    +0.162 A 
ATOM      8  O   LIG    1        4.201  -1.535  -0.268  0.00  0.00    -0.485 OA
ATOM      9  C   LIG    1        4.605  -0.980   0.988  0.00  0.00    +0.276 C 
ATOM     10  C   LIG    1        4.037   0.423   1.200  0.00  0.00    +0.236 C 
ATOM     11  O   LIG    1        2.600   0.419   1.166  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.088  -0.439   0.234  0.00  0.00    +0.168 A 
ATOM     13  C   LIG    1        0.734  -0.371  -0.029  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -0.316   0.489   0.582  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  21
ATOM     15  O   LIG    1       -6.918   0.431   0.778  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.712   0.442   0.544  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.852  -0.376   1.234  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -5.277  -0.998   1.907  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.477  -0.380   1.196  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -2.836  -1.064   1.993  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.828   0.603   0.209  0.00  0.00    +0.163 C 
ATOM     22  C   LIG    1       -3.766   0.883  -0.965  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -5.091   1.409  -0.436  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
BRANCH  10  24
ATOM     24  C   LIG    1        4.586   1.453   0.204  0.00  0.00    +0.203 C 
BRANCH  24  25
ATOM     25  O   LIG    1        5.973   1.694   0.424  0.00  0.00    -0.391 OA
ATOM     26  H   LIG    1        6.051   2.295   1.185  0.00  0.00    +0.210 HD
ENDBRANCH  24  25
ENDBRANCH  10  24
TORSDOF 3