REMARK  Name = BDB002139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.033   0.405   0.734  0.00  0.00    +0.157 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.131   1.258   0.079  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -2.737   2.278   0.834  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -3.763   3.061   0.298  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -4.221   2.836  -1.003  0.00  0.00    -0.050 A 
ATOM      6  C   LIG    1       -5.299   3.697  -1.589  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -3.620   1.831  -1.767  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -2.595   1.047  -1.230  0.00  0.00    +0.006 A 
ENDBRANCH   1   2
BRANCH   1  12
ATOM      9  N   LIG    1        2.629   0.720   0.593  0.00  0.00    -0.325 N 
ATOM     10  C   LIG    1        1.738   1.595  -0.185  0.00  0.00    +0.120 C 
ATOM     11  C   LIG    1        0.704   0.771  -0.992  0.00  0.00    +0.104 C 
ATOM     12  N   LIG    1       -0.086  -0.241  -0.224  0.00  0.00    -0.286 NA
ATOM     13  C   LIG    1        0.926  -1.103   0.462  0.00  0.00    +0.104 C 
ATOM     14  C   LIG    1        1.964  -0.359   1.336  0.00  0.00    +0.120 C 
BRANCH   9  16
ATOM     15  C   LIG    1        4.632  -0.567  -0.181  0.00  0.00    +0.141 A 
ATOM     16  C   LIG    1        3.959   0.628   0.176  0.00  0.00    +0.072 A 
ATOM     17  C   LIG    1        4.706   1.826   0.130  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        6.048   1.857  -0.252  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        6.686   0.678  -0.603  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        5.983  -0.526  -0.569  0.00  0.00    +0.047 A 
BRANCH  15  22
ATOM     21  C   LIG    1        4.597  -2.958  -0.330  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        3.898  -1.729  -0.186  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   1  23
ATOM     23  C   LIG    1       -1.659  -0.566   1.706  0.00  0.00    +0.173 A 
ATOM     24  N   LIG    1       -2.420  -1.668   1.406  0.00  0.00    -0.225 N 
ATOM     25  N   LIG    1       -2.801  -2.272   2.550  0.00  0.00    -0.044 NA
ATOM     26  N   LIG    1       -2.268  -1.555   3.525  0.00  0.00    -0.023 NA
ATOM     27  N   LIG    1       -1.554  -0.501   3.023  0.00  0.00    -0.111 NA
BRANCH  24  28
ATOM     28  C   LIG    1       -2.801  -2.239   0.128  0.00  0.00    +0.105 C 
ATOM     29  C   LIG    1       -2.347  -3.695  -0.004  0.00  0.00    +0.032 C 
ATOM     30  C   LIG    1       -4.306  -2.110  -0.108  0.00  0.00    +0.032 C 
ENDBRANCH  24  28
ENDBRANCH   1  23
TORSDOF 6