REMARK  Name = BDB009008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.654  -1.226   0.926  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.650  -1.426  -0.025  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.544  -2.085   0.314  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.710  -2.569   1.617  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.291  -2.385   2.567  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.467  -1.716   2.223  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.225   0.099  -0.499  0.00  0.00    +0.232 C 
ATOM      8  N   LIG    1        2.865  -0.561   0.657  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        3.528  -0.501   1.425  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.551   0.275  -1.505  0.00  0.00    -0.274 OA
BRANCH   7  11
ATOM     11  C   LIG    1        4.620   0.654  -0.446  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1        5.483   0.571  -1.705  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        5.764  -0.356  -0.566  0.00  0.00    +0.027 C 
BRANCH  11  17
ATOM     14  N   LIG    1        4.828   3.039  -0.066  0.00  0.00    -0.328 N 
ATOM     15  H   LIG    1        4.869   3.836   0.555  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1        4.572   3.191  -1.033  0.00  0.00    +0.145 HD
ATOM     17  C   LIG    1        4.824   1.796   0.491  0.00  0.00    +0.226 C 
ATOM     18  O   LIG    1        4.951   1.602   1.692  0.00  0.00    -0.275 OA
ENDBRANCH  11  17
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -1.623  -2.289  -0.725  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.965  -1.682  -0.328  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.164  -0.200  -0.407  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -2.077   0.704  -0.919  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -2.572   2.114  -1.257  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -3.497   2.645  -0.170  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.711   1.732   0.010  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.358   0.271  -0.006  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -5.411  -0.667   0.458  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -6.516  -0.273   0.817  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -5.076  -1.993   0.454  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -5.782  -2.651   0.767  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -3.878  -2.514   0.079  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5