REMARK  Name = BDB040634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.447  -0.354   0.561  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.573   0.293  -0.270  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        1.787   1.194  -1.057  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.265  -0.325  -0.066  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.425  -1.348   0.847  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.630  -2.141   1.239  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -1.883  -1.860   0.677  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -2.067  -0.803  -0.251  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -0.959  -0.033  -0.637  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        1.835  -1.381   1.229  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        2.319  -2.185   2.003  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        7.545   1.061  -0.909  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        6.453   0.721  -0.464  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        5.758  -0.327  -1.015  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.172  -0.748  -1.837  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.502  -0.780  -0.677  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        3.966  -1.673  -1.330  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        3.888  -0.153   0.579  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.316   1.307   0.702  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        5.835   1.380   0.748  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1       -3.337  -0.558  -0.808  0.00  0.00    -0.321 N 
ATOM     22  C   LIG    1       -4.651  -0.855  -0.269  0.00  0.00    +0.089 C 
ATOM     23  C   LIG    1       -5.152  -0.188  -1.583  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1       -4.940  -0.027   1.002  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -4.992   1.428   0.727  0.00  0.00    -0.312 NA
ATOM     26  H   LIG    1       -5.923   1.651   0.375  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -4.008   1.778  -0.326  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -3.864   0.665  -1.387  0.00  0.00    +0.089 C 
ENDBRANCH   8  21
TORSDOF 2