REMARK  Name = BDB052937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.011   0.666   0.506  0.00  0.00    +0.164 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1        2.354   0.103  -0.037  0.00  0.00    -0.284 N 
ATOM      3  H   LIG    1        2.454   1.109  -0.037  0.00  0.00    +0.155 HD
ATOM      4  C   LIG    1        1.107  -0.418   0.283  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1        0.874  -1.610   0.484  0.00  0.00    -0.273 OA
BRANCH   2  10
ATOM      6  C   LIG    1        7.297  -2.559  -1.197  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        5.989  -1.879  -0.918  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1        4.835  -2.631  -0.681  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        3.618  -2.002  -0.390  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        3.538  -0.612  -0.318  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        4.698   0.141  -0.546  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        5.914  -0.486  -0.836  0.00  0.00    +0.005 A 
ENDBRANCH   2  10
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  N   LIG    1       -1.260   0.016   0.854  0.00  0.00    -0.300 N 
ATOM     14  H   LIG    1       -1.315  -0.352   1.795  0.00  0.00    +0.150 HD
ATOM     15  C   LIG    1       -2.021  -0.651  -0.087  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1       -1.782  -0.645  -1.290  0.00  0.00    -0.270 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.155  -1.456   0.450  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1       -3.527  -2.664  -0.174  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -4.532  -3.441   0.415  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -5.226  -2.985   1.538  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.903  -1.756   2.107  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.867  -0.992   1.569  0.00  0.00    +0.015 A 
BRANCH  18  23
ATOM     23  N   LIG    1       -2.791  -3.239  -1.238  0.00  0.00    -0.357 N 
ATOM     24  H   LIG    1       -2.067  -3.856  -0.873  0.00  0.00    +0.142 HD
ATOM     25  H   LIG    1       -2.312  -2.491  -1.759  0.00  0.00    +0.142 HD
ENDBRANCH  18  23
ENDBRANCH  15  17
ENDBRANCH   1  13
BRANCH   1  26
ATOM     26  C   LIG    1       -0.090   1.704  -0.631  0.00  0.00    +0.067 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.056   2.828  -0.325  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1       -2.341   2.828  -0.886  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -3.241   3.852  -0.593  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1       -2.860   4.881   0.259  0.00  0.00    +0.117 A 
ATOM     31  C   LIG    1       -1.590   4.902   0.826  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1       -0.689   3.875   0.535  0.00  0.00    +0.007 A 
BRANCH  30  33
ATOM     33  O   LIG    1       -3.771   5.862   0.518  0.00  0.00    -0.507 OA
ATOM     34  H   LIG    1       -3.361   6.519   1.103  0.00  0.00    +0.292 HD
ENDBRANCH  30  33
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8