REMARK  Name = BDB020843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.113   1.135  -1.734  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -0.226  -0.113  -2.348  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        0.599  -1.168  -2.053  0.00  0.00    +0.168 A 
ATOM      4  N   LIG    1        0.226  -2.220  -2.753  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -0.829  -1.839  -3.555  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        1.640  -0.953  -1.102  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        1.702   0.298  -0.592  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -1.068  -0.568  -3.319  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        0.856   1.347  -0.885  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        2.615  -2.067  -0.715  0.00  0.00    +0.028 C 
ATOM     11  C   LIG    1        1.968  -2.979   0.344  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1        3.032  -3.799   1.055  0.00  0.00    +0.160 C 
ATOM     13  O   LIG    1        3.965  -2.989   1.771  0.00  0.00    -0.380 OA
ATOM     14  C   LIG    1        4.183  -1.685   1.236  0.00  0.00    +0.160 C 
ATOM     15  C   LIG    1        4.030  -1.633  -0.278  0.00  0.00    +0.036 C 
ENDBRANCH   6  10
BRANCH   1  16
ATOM     16  N   LIG    1       -0.996   2.153  -2.024  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -0.620   3.007  -1.610  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.405   2.046  -1.652  0.00  0.00    +0.140 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -2.981   4.297   1.390  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.005   3.383   2.441  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -2.819   2.050   2.140  0.00  0.00    +0.124 A 
ATOM     22  O   LIG    1       -2.824   1.050   3.079  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -2.299  -0.089   2.360  0.00  0.00    +0.234 C 
ATOM     24  C   LIG    1       -2.534   0.121   0.865  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -2.627   1.601   0.839  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.617   2.492  -0.230  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1       -2.784   3.858   0.069  0.00  0.00    +0.005 A 
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4