REMARK  Name = BDB065234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.063   0.763   0.778  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        3.346   0.737  -0.429  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        2.086   0.139  -0.453  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1        1.529  -0.436   0.715  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        2.245  -0.401   1.915  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1        1.771  -0.918   3.051  0.00  0.00    -0.218 NA
ATOM      7  C   LIG    1        0.553  -1.483   2.997  0.00  0.00    +0.234 A 
ATOM      8  N   LIG    1       -0.225  -1.584   1.910  0.00  0.00    -0.203 NA
ATOM      9  C   LIG    1        0.264  -1.056   0.776  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.500   0.196   1.927  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        6.053   1.416   1.935  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        5.297   1.364   0.734  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  O   LIG    1        3.956   1.314  -1.513  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1        3.241   1.333  -2.740  0.00  0.00    +0.277 C 
ENDBRANCH   2  13
BRANCH   7  15
ATOM     15  C   LIG    1        0.040  -2.044   4.219  0.00  0.00    +0.140 C 
ATOM     16  N   LIG    1       -0.371  -2.500   5.208  0.00  0.00    -0.188 NA
ENDBRANCH   7  15
BRANCH   9  17
ATOM     17  N   LIG    1       -0.516  -1.150  -0.422  0.00  0.00    -0.315 N 
ATOM     18  C   LIG    1       -0.329  -2.520  -0.928  0.00  0.00    +0.131 C 
BRANCH  17  19
ATOM     19  C   LIG    1       -1.944  -0.767  -0.175  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -2.775  -0.880  -1.462  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -4.240  -0.495  -1.219  0.00  0.00    +0.086 C 
ATOM     22  N   LIG    1       -4.420   0.497  -0.153  0.00  0.00    -0.305 NA
ATOM     23  C   LIG    1       -5.696   1.193  -0.293  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1       -3.298   1.427  -0.095  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1       -2.030   0.690   0.344  0.00  0.00    +0.038 C 
ENDBRANCH  17  19
ENDBRANCH   9  17
TORSDOF 5