REMARK  Name = BDB039314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.346   0.373  -0.489  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.682   1.442   0.096  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.107   2.553   0.345  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.321   0.984   0.397  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.235  -0.366   0.065  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.051  -1.058   0.253  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -0.051  -0.364   0.784  0.00  0.00    -0.001 A 
ATOM      8  C   LIG    1        0.060   1.006   1.115  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        1.260   1.694   0.924  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.550  -0.847  -0.449  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        9.757   1.401  -0.316  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        8.559   1.155  -0.428  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.853   0.592   0.605  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.370   0.428   1.458  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.557   0.129   0.589  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        6.109  -0.497   1.549  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.785   0.331  -0.724  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.322   1.545  -1.482  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.813   1.367  -1.725  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.326  -1.066   0.992  0.00  0.00    +0.055 A 
ATOM     21  N   LIG    1       -1.539  -1.944   2.066  0.00  0.00    -0.299 N 
ATOM     22  C   LIG    1       -2.728  -2.632   2.260  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1       -2.538  -3.385   3.395  0.00  0.00    +0.138 A 
ATOM     24  N   LIG    1       -1.282  -3.188   3.908  0.00  0.00    -0.243 NA
ATOM     25  C   LIG    1       -3.783  -2.425   1.333  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -3.613  -1.570   0.298  0.00  0.00    -0.029 A 
ATOM     27  C   LIG    1       -0.713  -2.317   3.101  0.00  0.00    +0.204 A 
ATOM     28  C   LIG    1       -2.333  -0.877   0.112  0.00  0.00    +0.031 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -4.704  -1.333  -0.726  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -5.683  -0.329  -0.301  0.00  0.00    -0.298 NA
ATOM     31  C   LIG    1       -5.103   1.041  -0.220  0.00  0.00    +0.088 C 
ATOM     32  C   LIG    1       -6.301   1.854  -0.558  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1       -6.685   1.069  -1.833  0.00  0.00    +0.008 C 
ATOM     34  C   LIG    1       -7.053   2.494  -1.675  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1       -6.860  -0.267  -1.212  0.00  0.00    +0.088 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   7  20
TORSDOF 4