REMARK  Name = BDB002059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.546  -2.471  -1.232  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.066  -1.210  -0.626  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -2.437  -0.900  -0.354  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.677  -1.644  -0.570  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -4.954  -0.995  -0.033  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -4.943   0.559  -0.061  0.00  0.00    -0.023 C 
ATOM      7  C   LIG    1       -3.674   1.117   0.641  0.00  0.00    +0.060 C 
ATOM      8  C   LIG    1       -5.017   1.060  -1.519  0.00  0.00    +0.011 C 
ATOM      9  C   LIG    1       -6.188   1.077   0.683  0.00  0.00    +0.011 C 
ATOM     10  O   LIG    1       -3.707  -2.754  -1.096  0.00  0.00    -0.292 OA
ATOM     11  C   LIG    1       -2.468   0.363   0.199  0.00  0.00    +0.028 A 
ATOM     12  N   LIG    1       -1.191   0.829   0.283  0.00  0.00    -0.352 N 
ATOM     13  H   LIG    1       -0.904   1.730   0.649  0.00  0.00    +0.166 HD
ATOM     14  C   LIG    1       -0.309  -0.107  -0.218  0.00  0.00    +0.128 A 
ENDROOT
BRANCH  14  15
ATOM     15  C   LIG    1        1.110   0.174  -0.239  0.00  0.00    +0.356 C 
ATOM     16  O   LIG    1        1.609   1.210   0.186  0.00  0.00    -0.243 OA
BRANCH  15  17
ATOM     17  O   LIG    1        1.809  -0.858  -0.782  0.00  0.00    -0.458 OA
BRANCH  17  18
ATOM     18  C   LIG    1        3.228  -0.664  -0.859  0.00  0.00    +0.260 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.902  -0.971   0.478  0.00  0.00    +0.201 C 
BRANCH  19  20
ATOM     20  O   LIG    1        5.316  -0.795   0.396  0.00  0.00    -0.374 OA
BRANCH  20  21
ATOM     21  C   LIG    1        5.748   0.549   0.629  0.00  0.00    +0.112 C 
ATOM     22  C   LIG    1        7.081   0.724  -0.089  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        5.916   0.788   2.126  0.00  0.00    +0.037 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  14  15
TORSDOF 6