REMARK  Name = BDB051311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.084  -1.222  -0.242  0.00  0.00    +0.056 C 
ENDROOT
BRANCH   1   9
ATOM      2  O   LIG    1        7.250   3.027   1.946  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        6.159   2.611   1.576  0.00  0.00    +0.244 C 
ATOM      4  C   LIG    1        6.002   1.306   0.865  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        7.164   0.630   0.490  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        7.093  -0.597  -0.162  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        5.824  -1.132  -0.403  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        4.631  -0.497  -0.038  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        3.562  -1.387  -0.425  0.00  0.00    -0.021 A 
ATOM     10  C   LIG    1        4.145  -2.490  -1.018  0.00  0.00    +0.087 A 
ATOM     11  N   LIG    1        5.497  -2.326  -1.003  0.00  0.00    -0.360 N 
ATOM     12  H   LIG    1        6.170  -2.989  -1.362  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1        4.710   0.777   0.596  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        3.507   1.569   1.057  0.00  0.00    +0.055 C 
ATOM     15  C   LIG    1        3.804   3.063   1.080  0.00  0.00    +0.109 C 
ATOM     16  N   LIG    1        5.017   3.341   1.803  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1        5.193   4.272   2.163  0.00  0.00    +0.149 HD
ENDBRANCH   1   9
BRANCH   1  18
ATOM     18  C   LIG    1        1.423  -0.542  -1.445  0.00  0.00    +0.109 C 
BRANCH  18  19
ATOM     19  N   LIG    1        0.014  -0.271  -1.224  0.00  0.00    -0.315 N 
ATOM     20  H   LIG    1       -0.278   0.686  -1.070  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -0.939  -1.262  -1.320  0.00  0.00    +0.216 C 
ATOM     22  O   LIG    1       -0.667  -2.430  -1.575  0.00  0.00    -0.276 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -2.357  -0.768  -1.069  0.00  0.00    +0.078 C 
ATOM     24  C   LIG    1       -3.388  -1.849  -1.409  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1       -4.816  -1.347  -1.183  0.00  0.00    +0.106 C 
ATOM     26  N   LIG    1       -4.901  -0.480   0.002  0.00  0.00    -0.330 N 
ATOM     27  C   LIG    1       -3.853  -0.681   1.003  0.00  0.00    +0.106 C 
ATOM     28  C   LIG    1       -2.510  -0.286   0.387  0.00  0.00    +0.031 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -6.103   0.139   0.333  0.00  0.00    +0.033 A 
ATOM     30  C   LIG    1       -7.309  -0.167  -0.311  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1       -8.481   0.491   0.045  0.00  0.00    +0.112 A 
ATOM     32  N   LIG    1       -8.550   1.448   0.989  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1       -7.388   1.758   1.591  0.00  0.00    +0.112 A 
ATOM     34  C   LIG    1       -6.173   1.149   1.300  0.00  0.00    +0.043 A 
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5