REMARK  Name = BDB045597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.351   0.012   0.536  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.998   0.330   0.322  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -1.664   1.645   0.010  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -0.300   1.628  -0.135  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        0.270   2.422  -0.379  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.156   0.347   0.069  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -2.602   2.675  -0.105  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -3.942   2.339   0.111  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.863  -0.451   0.325  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -4.317   1.032   0.427  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.562  -0.065  -0.014  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.863  -1.431  -0.147  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.185  -1.874  -0.234  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.227  -0.950  -0.165  0.00  0.00    +0.059 A 
ATOM     15  C   LIG    1        3.950   0.416  -0.038  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        2.622   0.853   0.040  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        5.620  -1.437  -0.255  0.00  0.00    +0.337 C 
ATOM     18  O   LIG    1        5.992  -2.251  -1.080  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1        6.416  -0.902   0.694  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        5.937  -0.413   1.390  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  24
ATOM     21  N   LIG    1       -4.867  -1.844   0.252  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -5.050  -2.830   0.390  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -5.202  -1.422  -0.602  0.00  0.00    +0.145 HD
ATOM     24  C   LIG    1       -3.753  -1.362   0.890  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1       -3.154  -2.045   1.708  0.00  0.00    -0.270 OA
ENDBRANCH   1  24
TORSDOF 4