REMARK  Name = BDB021142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.458   0.227   0.776  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -0.683   0.832  -0.178  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -0.764   0.731  -1.389  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.321   1.634   0.529  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.131   1.412   1.883  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.933   1.992   2.847  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        1.962   2.823   2.402  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.163   3.050   1.025  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.337   2.454   0.054  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -0.985   0.482   2.033  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -1.357   0.029   3.099  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -4.679  -4.217   1.016  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.027  -3.186   0.876  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -2.668  -3.229   0.685  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -2.245  -4.146   0.724  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -1.800  -2.170   0.534  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -0.593  -2.366   0.411  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -2.451  -0.785   0.447  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -3.712  -0.739   1.304  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -4.674  -1.821   0.836  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  C   LIG    1        1.565   2.694  -1.412  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  N   LIG    1        1.843   1.467  -2.112  0.00  0.00    -0.311 N 
ATOM     23  H   LIG    1        1.051   0.865  -2.320  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.108   0.954  -2.202  0.00  0.00    +0.216 C 
ATOM     25  O   LIG    1        4.129   1.535  -1.861  0.00  0.00    -0.276 OA
BRANCH  24  26
ATOM     26  C   LIG    1        3.166  -0.411  -2.780  0.00  0.00    +0.075 C 
ATOM     27  C   LIG    1        2.357  -1.546  -2.193  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1        3.845  -1.518  -2.006  0.00  0.00    +0.013 C 
ENDBRANCH  24  26
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 4