REMARK  Name = BDB048807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.364   0.132  -0.354  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.042  -0.146  -0.291  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1        1.203  -1.524  -0.394  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        2.456  -2.147  -0.376  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1        3.584  -1.331  -0.239  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        3.470   0.059  -0.119  0.00  0.00    -0.036 A 
ATOM      7  N   LIG    1       -0.052  -2.066  -0.516  0.00  0.00    -0.354 N 
ATOM      8  H   LIG    1       -0.242  -3.052  -0.625  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1        2.196   0.656  -0.152  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.017  -1.088  -0.490  0.00  0.00    +0.051 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -2.434  -1.415  -0.602  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1       -3.174  -0.985  -1.709  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -4.529  -1.306  -1.819  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.151  -2.059  -0.824  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.420  -2.490   0.282  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.066  -2.170   0.393  0.00  0.00    +0.010 A 
ENDBRANCH  10  11
BRANCH   1  17
ATOM     17  C   LIG    1       -0.997   1.488  -0.265  0.00  0.00    +0.037 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.006   3.233   1.248  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -1.369   1.855   1.172  0.00  0.00    +0.001 C 
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        4.705   0.914   0.035  0.00  0.00    +0.155 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.462   1.173  -1.252  0.00  0.00    +0.309 C 
ATOM     22  O   LIG    1        5.214   0.699  -2.349  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1        6.514   2.013  -1.065  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1        6.618   2.324  -0.146  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 6