REMARK  Name = BDB031286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.612   1.426   1.281  0.00  0.00    +0.117 A 
ATOM      2  N   LIG    1        0.573   1.173   0.586  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.241   2.392   0.486  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        0.406   3.308   1.117  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        0.782   4.658   1.200  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        2.010   5.056   0.662  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        2.854   4.123   0.063  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.493   2.774  -0.029  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -0.720   2.704   1.594  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1        1.016  -0.061   0.028  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        1.564  -0.068  -1.268  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        1.950  -1.288  -1.772  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.815  -2.470  -1.049  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1        2.284  -3.513  -1.839  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        2.310  -4.491  -1.605  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        2.712  -2.989  -3.068  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1        3.177  -3.613  -4.004  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1        1.292  -2.494   0.220  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1        2.500  -1.604  -3.009  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1        2.715  -0.975  -3.765  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        0.892  -1.266   0.764  0.00  0.00    +0.028 A 
ENDBRANCH   2  10
BRANCH   1  22
ATOM     22  C   LIG    1       -1.714   0.448   1.550  0.00  0.00    +0.093 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.462   0.045   0.278  0.00  0.00    +0.112 C 
BRANCH  23  26
ATOM     24  C   LIG    1       -4.671  -2.915   1.150  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1       -3.397  -2.158   0.889  0.00  0.00    +0.210 C 
ATOM     26  N   LIG    1       -3.583  -0.838   0.550  0.00  0.00    -0.315 N 
ATOM     27  H   LIG    1       -4.514  -0.441   0.573  0.00  0.00    +0.149 HD
ATOM     28  O   LIG    1       -2.293  -2.681   0.996  0.00  0.00    -0.276 OA
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 4