REMARK  Name = BDB002879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.206   0.590   1.369  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.383   0.235   0.299  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1       -1.004   0.216   0.419  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.595   0.567   1.655  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -2.928   0.562   1.829  0.00  0.00    -0.240 NA
ATOM      6  C   LIG    1       -3.691   0.207   0.758  0.00  0.00    +0.136 A 
ATOM      7  C   LIG    1       -3.114  -0.126  -0.465  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1       -0.776   0.924   2.715  0.00  0.00    +0.032 A 
ATOM      9  N   LIG    1       -1.764  -0.124  -0.639  0.00  0.00    -0.240 NA
ATOM     10  C   LIG    1        0.614   0.942   2.582  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.742   0.507   0.535  0.00  0.00    -0.297 N 
ATOM     12  H   LIG    1        4.859   1.402   0.988  0.00  0.00    +0.150 HD
ATOM     13  C   LIG    1        3.420   0.192   0.278  0.00  0.00    +0.304 C 
ATOM     14  N   LIG    1        2.613   0.640   1.301  0.00  0.00    -0.269 N 
ATOM     15  H   LIG    1        3.102   0.886   2.149  0.00  0.00    +0.156 HD
ATOM     16  O   LIG    1        3.067  -0.418  -0.721  0.00  0.00    -0.253 OA
BRANCH  11  17
ATOM     17  C   LIG    1        5.751   0.184  -0.462  0.00  0.00    +0.133 C 
BRANCH  17  18
ATOM     18  C   LIG    1        7.167   0.221   0.116  0.00  0.00    +0.178 C 
BRANCH  18  20
ATOM     19  C   LIG    1        8.323  -1.145  -1.451  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1        8.174   0.155  -0.893  0.00  0.00    -0.381 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   7  21
ATOM     21  C   LIG    1       -3.867  -0.435  -1.671  0.00  0.00    +0.155 A 
ATOM     22  O   LIG    1       -3.483  -1.559  -2.347  0.00  0.00    -0.461 OA
ATOM     23  C   LIG    1       -4.294  -1.676  -3.429  0.00  0.00    +0.196 A 
ATOM     24  C   LIG    1       -5.204  -0.646  -3.462  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1       -4.930   0.157  -2.328  0.00  0.00    +0.051 A 
ENDBRANCH   7  21
BRANCH   6  26
ATOM     26  C   LIG    1       -5.119   0.156   1.036  0.00  0.00    +0.155 A 
ATOM     27  O   LIG    1       -5.634   1.212   1.738  0.00  0.00    -0.461 OA
ATOM     28  C   LIG    1       -6.963   0.984   1.894  0.00  0.00    +0.196 A 
ATOM     29  C   LIG    1       -7.320  -0.204   1.304  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -6.132  -0.742   0.751  0.00  0.00    +0.051 A 
ENDBRANCH   6  26
TORSDOF 6