REMARK  Name = BDB009076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.550   0.170   1.611  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.570   1.063   1.168  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.433   1.526   2.039  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.418   1.111   3.377  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.559   0.228   3.829  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.535  -0.241   2.949  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.068   0.538  -1.283  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        2.787  -0.146  -0.559  0.00  0.00    +0.270 C 
ATOM      9  N   LIG    1        2.575  -0.351   0.797  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1        3.241  -0.967   1.255  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.998  -0.840  -1.158  0.00  0.00    +0.167 A 
ATOM     12  C   LIG    1        4.870  -1.659  -0.429  0.00  0.00    +0.147 A 
ATOM     13  C   LIG    1        5.953  -2.244  -1.088  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        6.139  -2.002  -2.445  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        5.235  -1.183  -3.097  0.00  0.00    +0.112 A 
ATOM     16  N   LIG    1        4.181  -0.604  -2.489  0.00  0.00    -0.247 NA
BRANCH  12  17
ATOM     17  O   LIG    1        4.699  -1.908   0.908  0.00  0.00    -0.504 OA
ATOM     18  H   LIG    1        5.419  -2.489   1.214  0.00  0.00    +0.292 HD
ENDBRANCH  12  17
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -1.486   2.505   1.570  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.103   2.185   0.211  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -2.942   0.956   0.044  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -3.232   0.050   1.208  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.383  -0.925   0.941  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.256  -1.554  -0.442  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.263  -0.482  -1.534  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.428   0.720  -1.187  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.150   1.670  -2.293  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -3.592   1.492  -3.424  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -2.393   2.762  -1.968  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -2.170   3.412  -2.713  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -1.864   3.033  -0.745  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5