REMARK  Name = BDB020957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.420   0.120  -0.889  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        0.855   0.082  -0.345  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        1.631  -1.159  -0.416  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        3.102  -0.920  -0.808  0.00  0.00    +0.125 C 
ATOM      5  N   LIG    1        3.737   0.150  -0.012  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1        2.873   0.862   0.942  0.00  0.00    +0.125 C 
ATOM      7  C   LIG    1        1.533   1.227   0.278  0.00  0.00    +0.126 C 
ATOM      8  O   LIG    1       -0.933  -0.867  -1.411  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.059  -0.032   0.386  0.00  0.00    +0.121 A 
ATOM     10  N   LIG    1        5.431   0.370   1.622  0.00  0.00    -0.239 NA
ATOM     11  C   LIG    1        6.723   0.208   2.003  0.00  0.00    +0.131 A 
ATOM     12  C   LIG    1        7.703  -0.338   1.195  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        7.331  -0.737  -0.082  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        6.003  -0.578  -0.487  0.00  0.00    +0.045 A 
BRANCH  12  15
ATOM     15  C   LIG    1        9.044  -0.474   1.663  0.00  0.00    +0.101 C 
ATOM     16  N   LIG    1       10.134  -0.586   2.044  0.00  0.00    -0.191 NA
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  17
ATOM     17  C   LIG    1       -1.152   1.453  -0.804  0.00  0.00    +0.107 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -3.084   2.848  -1.612  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1       -2.539   1.426  -1.464  0.00  0.00    +0.061 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.550   0.588  -0.689  0.00  0.00    +0.114 A 
ATOM     21  N   LIG    1       -3.730   0.882   0.637  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.228   1.632   1.086  0.00  0.00    +0.170 HD
ATOM     23  C   LIG    1       -4.622   0.223   1.444  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1       -4.767   0.520   2.624  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -5.391  -0.852   0.799  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1       -5.156  -1.078  -0.559  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1       -5.873  -2.091  -1.199  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -6.805  -2.859  -0.493  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -7.029  -2.618   0.863  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.321  -1.611   1.516  0.00  0.00    +0.015 A 
ATOM     31  N   LIG    1       -4.230  -0.327  -1.301  0.00  0.00    -0.233 NA
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5