REMARK  Name = BDB058434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.634   2.091  -1.563  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.071   1.103  -0.577  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -1.905   0.165   0.056  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -1.352  -0.747   0.960  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.019  -0.728   1.239  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.858   0.206   0.623  0.00  0.00    -0.030 A 
ATOM      7  C   LIG    1        0.303   1.114  -0.290  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   8
ATOM      8  O   LIG    1       -3.230   0.228  -0.285  0.00  0.00    -0.487 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -4.118  -0.696   0.335  0.00  0.00    +0.264 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.507  -0.426  -0.191  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1       -5.953  -1.048  -1.367  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -7.231  -0.784  -1.866  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -8.065   0.108  -1.196  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1       -9.639   0.433  -1.810  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -7.631   0.744  -0.035  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.353   0.481   0.464  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   3   8
BRANCH   6  17
ATOM     17  C   LIG    1        2.342   0.225   0.909  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.060  -0.297  -0.245  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1        2.559  -1.055  -0.703  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.434  -0.535  -0.166  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        5.277   0.092   0.759  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        6.664  -0.133   0.745  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1        7.225  -0.971  -0.224  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        6.406  -1.568  -1.177  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        5.028  -1.338  -1.152  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1        7.572   0.504   1.728  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1        8.782   0.378   1.768  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        6.924   1.268   2.626  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        7.642   1.617   3.194  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 8