REMARK  Name = BDB053198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.973  -1.561  -0.780  0.00  0.00    +0.183 A 
ATOM      2  N   LIG    1       -1.011  -2.338  -1.399  0.00  0.00    -0.317 N 
ATOM      3  C   LIG    1       -1.226  -3.655  -1.047  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -2.312  -3.602  -0.181  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -2.802  -4.785   0.392  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -2.181  -5.997   0.072  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.094  -6.031  -0.802  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.591  -4.860  -1.381  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -2.753  -2.316  -0.024  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -2.166  -0.127  -0.952  0.00  0.00    +0.228 C 
ATOM     11  O   LIG    1       -1.791   0.478  -1.958  0.00  0.00    -0.283 OA
BRANCH  10  16
ATOM     12  C   LIG    1       -4.812   3.124   3.073  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -4.155   2.260   2.038  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -4.133   2.654   0.696  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -3.492   1.864  -0.262  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -2.861   0.667   0.107  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -2.858   0.289   1.454  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -3.501   1.081   2.412  0.00  0.00    +0.004 A 
ENDBRANCH  10  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1        0.065  -1.858  -2.255  0.00  0.00    +0.159 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.194  -1.259  -1.451  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1        1.447   0.121  -1.498  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1        2.484   0.703  -0.758  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        3.274  -0.109   0.048  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        3.039  -1.486   0.104  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        2.009  -2.059  -0.641  0.00  0.00    +0.005 A 
BRANCH  22  26
ATOM     26  O   LIG    1        2.582   2.053  -0.915  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1        3.689   2.815  -0.423  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1        4.985   2.427  -1.153  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1        3.342   4.264  -0.821  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1        3.849   2.847   1.109  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1        3.025   2.519   1.948  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1        5.042   3.333   1.519  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1        4.971   3.321   2.498  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8