REMARK  Name = BDB040929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.689  -1.187   0.548  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1        0.428  -0.083  -0.287  0.00  0.00    +0.135 A 
ATOM      3  C   LIG    1       -0.838   0.335  -0.650  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.663   1.616  -1.216  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1        0.626   1.970  -1.224  0.00  0.00    -0.170 NA
ATOM      6  C   LIG    1       -1.698   2.561  -1.704  0.00  0.00    +0.068 C 
ATOM      7  C   LIG    1       -2.061  -0.462  -0.369  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1       -1.650  -1.922  -0.078  0.00  0.00    +0.150 C 
ATOM      9  N   LIG    1        1.303   0.850  -0.844  0.00  0.00    -0.218 N 
ATOM     10  C   LIG    1       -0.420  -2.001   0.870  0.00  0.00    +0.239 C 
ATOM     11  O   LIG    1       -0.414  -2.795   1.817  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.816   0.263   0.743  0.00  0.00    -0.038 A 
ATOM     13  C   LIG    1       -2.253   0.553   2.000  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.999   1.205   2.985  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -4.314   1.566   2.725  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1       -5.027   2.190   3.672  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -4.899   1.286   1.499  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -4.155   0.636   0.513  0.00  0.00    +0.007 A 
ENDBRANCH   7  12
BRANCH   9  19
ATOM     19  C   LIG    1        2.681   0.740  -1.175  0.00  0.00    +0.067 A 
ATOM     20  C   LIG    1        3.267  -0.510  -1.406  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        4.618  -0.596  -1.750  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.382   0.562  -1.884  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.794   1.811  -1.690  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.444   1.903  -1.347  0.00  0.00    +0.028 A 
ENDBRANCH   9  19
BRANCH   8  25
ATOM     25  N   LIG    1       -2.762  -2.766   0.436  0.00  0.00    -0.319 NA
ATOM     26  H   LIG    1       -3.085  -2.357   1.318  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -2.348  -3.656   0.732  0.00  0.00    +0.119 HD
ENDBRANCH   8  25
BRANCH   1  29
ATOM     28  C   LIG    1        2.606  -2.570   1.390  0.00  0.00    +0.025 C 
ATOM     29  C   LIG    1        1.841  -1.253   1.457  0.00  0.00    +0.112 C 
ENDBRANCH   1  29
TORSDOF 4