REMARK  Name = BDB062446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.949  -1.611   0.497  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -0.428  -1.639   0.204  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.313  -2.437   0.933  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1       -0.798  -3.276   1.934  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.564  -3.264   2.236  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        1.429  -2.429   1.529  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.485   1.065  -0.353  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        2.627   0.238   0.380  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        1.857  -0.742  -0.266  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        1.964  -0.857  -1.664  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        2.804  -0.015  -2.398  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.561   0.955  -1.744  0.00  0.00    +0.013 A 
BRANCH   7  15
ATOM     13  C   LIG    1        6.458   1.103  -0.339  0.00  0.00    +0.132 C 
ATOM     14  N   LIG    1        5.630   2.188   0.170  0.00  0.00    -0.304 N 
ATOM     15  C   LIG    1        4.252   2.110   0.362  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1        3.622   2.877   1.087  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        6.341   3.307   0.764  0.00  0.00    +0.132 C 
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  N   LIG    1       -2.712  -2.477   0.648  0.00  0.00    -0.236 N 
ATOM     19  C   LIG    1       -3.581  -1.546   0.059  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1       -4.727  -2.278  -0.280  0.00  0.00    +0.100 A 
ATOM     21  C   LIG    1       -4.535  -3.531   0.323  0.00  0.00    +0.150 A 
ATOM     22  N   LIG    1       -3.375  -3.624   0.960  0.00  0.00    -0.174 NA
BRANCH  19  23
ATOM     23  C   LIG    1       -3.387  -0.044  -0.052  0.00  0.00    +0.039 C 
ATOM     24  C   LIG    1       -2.822   0.407  -1.411  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -1.936   1.650  -1.306  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1       -2.543   2.683  -0.365  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -2.752   2.148   1.053  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -2.708   0.620   1.153  0.00  0.00    +0.010 C 
ENDBRANCH  19  23
BRANCH  20  29
ATOM     29  C   LIG    1       -5.923  -1.895  -0.998  0.00  0.00    +0.340 C 
ATOM     30  O   LIG    1       -6.924  -2.589  -1.106  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -5.884  -0.690  -1.604  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -6.762  -0.629  -2.033  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  20  29
ENDBRANCH   3  18
TORSDOF 6