REMARK  Name = BDB041961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.052   0.222   0.338  0.00  0.00    -0.221 N 
ATOM      2  C   LIG    1        0.900   1.195   0.490  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        0.762   2.347   0.853  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.181   0.588   0.137  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        1.931  -0.717  -0.246  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        2.942  -1.567  -0.650  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.243  -1.054  -0.655  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.498   0.277  -0.264  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.456   1.119   0.138  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.491  -0.939  -0.137  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -0.067  -1.978  -0.434  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.509   0.241  -0.172  0.00  0.00    -0.252 OA
ATOM     13  C   LIG    1       -4.292   0.223  -0.040  0.00  0.00    +0.306 C 
ATOM     14  N   LIG    1       -3.442   0.669  -1.012  0.00  0.00    -0.239 N 
ATOM     15  H   LIG    1       -3.866   0.934  -1.889  0.00  0.00    +0.159 HD
ATOM     16  C   LIG    1       -2.071   0.766  -0.930  0.00  0.00    +0.243 C 
ATOM     17  O   LIG    1       -1.407   1.116  -1.905  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.476   0.494   0.451  0.00  0.00    +0.188 C 
ATOM     19  C   LIG    1       -2.302  -0.606   1.109  0.00  0.00    +0.138 C 
ATOM     20  N   LIG    1       -3.704  -0.250   1.097  0.00  0.00    -0.297 N 
ATOM     21  H   LIG    1       -4.348  -0.708   1.733  0.00  0.00    +0.150 HD
ENDBRANCH   1  18
TORSDOF 1