REMARK  Name = BDB003051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.844  -0.222  -1.100  0.00  0.00    +0.252 C 
ATOM      2  N   LIG    1        0.211   0.924  -0.588  0.00  0.00    -0.248 N 
ATOM      3  O   LIG    1        1.318  -0.334  -2.229  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1        1.203  -3.647   1.429  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1        2.345  -3.116   0.788  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1        2.217  -1.996  -0.038  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        0.965  -1.401  -0.213  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -0.172  -1.939   0.393  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -0.050  -3.057   1.220  0.00  0.00    +0.050 A 
BRANCH   4  11
ATOM     10  C   LIG    1        0.292  -5.334   2.859  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        1.419  -4.741   2.230  0.00  0.00    -0.491 OA
ENDBRANCH   4  11
BRANCH   5  12
ATOM     12  O   LIG    1        3.531  -3.760   1.039  0.00  0.00    -0.491 OA
ATOM     13  C   LIG    1        4.673  -3.346   0.302  0.00  0.00    +0.277 C 
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  C   LIG    1       -0.254   1.906  -1.532  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1       -1.081   1.520  -2.610  0.00  0.00    +0.141 A 
ATOM     16  C   LIG    1       -1.569   2.474  -3.512  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -1.225   3.816  -3.366  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -0.413   4.211  -2.308  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        0.061   3.266  -1.393  0.00  0.00    +0.027 A 
BRANCH  15  20
ATOM     20  O   LIG    1       -1.528   0.219  -2.671  0.00  0.00    -0.493 OA
ATOM     21  C   LIG    1       -1.308  -0.371  -3.953  0.00  0.00    +0.277 C 
ENDBRANCH  15  20
ENDBRANCH   2  14
BRANCH   2  22
ATOM     22  C   LIG    1        0.464   1.331   0.794  0.00  0.00    +0.224 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -0.667   1.942   1.458  0.00  0.00    -0.285 N 
ATOM     24  C   LIG    1       -0.648   3.212   2.004  0.00  0.00    +0.217 C 
ATOM     25  O   LIG    1        0.307   3.967   2.063  0.00  0.00    -0.276 OA
ATOM     26  C   LIG    1       -2.046   3.529   2.473  0.00  0.00    +0.097 C 
ATOM     27  C   LIG    1       -2.699   2.154   2.553  0.00  0.00    +0.028 C 
ATOM     28  C   LIG    1       -1.975   1.343   1.495  0.00  0.00    +0.110 C 
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 7