REMARK  Name = BDB049788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.432  -0.294  -0.342  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -1.716  -1.022  -0.990  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1  11
ATOM      3  C   LIG    1       -6.443  -0.354   0.649  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -5.473  -1.367   0.694  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -4.147  -1.050   0.390  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -3.771   0.273   0.044  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1       -4.743   1.280   0.025  0.00  0.00    +0.080 A 
ATOM      8  N   LIG    1       -4.460   2.552  -0.268  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1       -3.183   2.837  -0.541  0.00  0.00    +0.223 A 
ATOM     10  N   LIG    1       -2.170   1.968  -0.563  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1       -2.462   0.686  -0.284  0.00  0.00    +0.134 A 
ATOM     12  C   LIG    1       -6.059   0.951   0.321  0.00  0.00    +0.078 A 
BRANCH   3  14
ATOM     13  C   LIG    1       -8.738   0.264   0.915  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -7.728  -0.735   0.949  0.00  0.00    -0.491 OA
ENDBRANCH   3  14
BRANCH   4  15
ATOM     15  O   LIG    1       -5.916  -2.620   1.032  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1       -4.942  -3.630   1.254  0.00  0.00    +0.277 C 
ENDBRANCH   4  15
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  C   LIG    1       -0.035  -0.097  -0.378  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        0.596   0.998   0.210  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        1.995   1.115   0.215  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        2.830   0.137  -0.342  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        2.183  -0.978  -0.892  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        0.784  -1.101  -0.901  0.00  0.00    +0.025 A 
BRANCH  20  23
ATOM     23  N   LIG    1        4.201   0.257  -0.337  0.00  0.00    -0.321 N 
ATOM     24  C   LIG    1        5.114  -0.730  -0.933  0.00  0.00    +0.141 C 
ATOM     25  C   LIG    1        6.467  -0.132  -0.706  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1        6.354   1.098  -0.055  0.00  0.00    -0.026 A 
ATOM     27  C   LIG    1        7.478   1.845   0.263  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        8.731   1.336  -0.085  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.845   0.099  -0.739  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.706  -0.645  -1.055  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.916   1.423   0.206  0.00  0.00    +0.141 C 
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 5