REMARK  Name = BDB033097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.019  -0.952   1.730  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        1.086  -0.015   1.166  0.00  0.00    +0.131 C 
ATOM      3  N   LIG    1        2.321  -0.579   1.671  0.00  0.00    -0.289 N 
ATOM      4  C   LIG    1        2.177  -1.934   1.929  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        3.072  -2.726   2.179  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.723  -2.304   1.774  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.626   0.002   1.423  0.00  0.00    +0.130 C 
ATOM      8  C   LIG    1        4.001   0.044  -0.033  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1        4.177   1.378  -0.429  0.00  0.00    -0.020 A 
ATOM     10  C   LIG    1        4.528   1.696  -1.729  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.707   0.649  -2.639  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.538  -0.688  -2.240  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        3.939   2.252   0.708  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1        4.184  -1.001  -0.926  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        3.627   1.476   1.760  0.00  0.00    +0.001 C 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     16  C   LIG    1       -2.082   0.086   0.959  0.00  0.00    +0.248 C 
ATOM     17  N   LIG    1       -1.208  -0.978   0.962  0.00  0.00    -0.306 N 
ATOM     18  H   LIG    1       -1.347  -1.685   0.242  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -1.916   1.067   1.678  0.00  0.00    -0.270 OA
BRANCH  16  23
ATOM     20  C   LIG    1       -6.367   2.138  -0.559  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -5.340   1.054  -0.706  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1       -4.211   1.032   0.126  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -3.252   0.008   0.028  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1       -3.447  -1.006  -0.922  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1       -4.577  -1.000  -1.745  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -5.521   0.023  -1.632  0.00  0.00    +0.007 A 
BRANCH  24  27
ATOM     27  O   LIG    1       -2.536  -2.022  -1.070  0.00  0.00    -0.506 OA
ATOM     28  H   LIG    1       -2.842  -2.612  -1.782  0.00  0.00    +0.292 HD
ENDBRANCH  24  27
ENDBRANCH  16  23
ENDBRANCH   1  17
TORSDOF 4