REMARK  Name = BDB048808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.130   0.329   0.242  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.503  -0.081   0.311  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1        1.522  -1.439   0.623  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        2.705  -2.172   0.781  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        3.914  -1.494   0.602  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        3.926  -0.137   0.265  0.00  0.00    +0.060 A 
ATOM      7  N   LIG    1        0.213  -1.840   0.738  0.00  0.00    -0.354 N 
ATOM      8  H   LIG    1       -0.084  -2.776   0.975  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1        2.732   0.586   0.133  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -0.646  -0.791   0.509  0.00  0.00    +0.051 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -2.093  -0.967   0.576  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1       -2.745  -1.808  -0.334  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -4.129  -1.983  -0.266  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.868  -1.321   0.713  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.226  -0.483   1.623  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -2.842  -0.306   1.555  0.00  0.00    +0.010 A 
ENDBRANCH  10  11
BRANCH   6  17
ATOM     17  C   LIG    1        5.202   0.584   0.065  0.00  0.00    +0.337 C 
ATOM     18  O   LIG    1        5.421   1.698   0.506  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1        6.077  -0.109  -0.696  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        5.697  -0.902  -1.118  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   1  21
ATOM     21  C   LIG    1       -0.360   1.710  -0.083  0.00  0.00    +0.037 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -1.115   3.290  -1.895  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -0.623   1.887  -1.579  0.00  0.00    +0.001 C 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5