REMARK  Name = BDB060911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.873   0.305   0.209  0.00  0.00    +0.112 A 
ATOM      2  C   LIG    1        0.650   0.967   0.289  0.00  0.00    +0.132 A 
ATOM      3  N   LIG    1        0.998   2.328   0.373  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1        2.373   2.377   0.106  0.00  0.00    +0.140 A 
ATOM      5  C   LIG    1        2.999   3.648   0.002  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        2.292   4.774   0.208  0.00  0.00    -0.045 A 
ATOM      7  C   LIG    1        0.880   4.699   0.554  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        2.901   6.141   0.114  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        0.248   3.507   0.631  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -1.194   3.462   1.034  0.00  0.00    +0.064 C 
ATOM     11  N   LIG    1        2.909   1.183   0.017  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        2.672  -3.879   0.529  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        1.705  -3.283   1.342  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        1.434  -1.915   1.244  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        2.119  -1.124   0.316  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        3.102  -1.721  -0.483  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        3.373  -3.091  -0.383  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        3.825  -5.870  -0.064  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        2.836  -5.223   0.726  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   2  20
ATOM     20  N   LIG    1       -0.647   0.504   0.312  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1       -1.302   1.086   0.822  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.304   0.029  -0.943  0.00  0.00    +0.028 C 
ATOM     23  C   LIG    1       -1.094   1.061  -2.079  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -0.741  -1.312  -1.417  0.00  0.00    +0.031 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -2.851  -0.048  -0.692  0.00  0.00    +0.031 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.494  -1.103   0.265  0.00  0.00    -0.036 C 
ATOM     27  C   LIG    1       -4.946  -0.642   0.540  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -2.778  -1.222   1.616  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -3.583  -2.495  -0.387  0.00  0.00    +0.010 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6