REMARK  Name = BDB046608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.742   3.970  -1.448  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.108   3.076  -0.900  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.893   1.778  -1.556  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -3.168   0.802  -0.882  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.869  -0.424  -1.480  0.00  0.00    +0.037 A 
ATOM      6  N   LIG    1       -2.174  -1.438  -0.812  0.00  0.00    -0.336 N 
ATOM      7  H   LIG    1       -1.697  -2.068  -1.453  0.00  0.00    +0.147 HD
ATOM      8  C   LIG    1       -1.313  -1.030   0.313  0.00  0.00    +0.114 C 
ATOM      9  C   LIG    1       -1.980   0.008   1.250  0.00  0.00    +0.095 C 
ATOM     10  C   LIG    1       -3.407  -0.682  -2.748  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -4.153   0.287  -3.428  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -2.699   1.106   0.475  0.00  0.00    +0.081 A 
ATOM     13  N   LIG    1       -2.870   2.265   1.043  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -4.389   1.526  -2.836  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -3.545   3.224   0.346  0.00  0.00    -0.242 N 
ATOM     16  H   LIG    1       -3.698   4.106   0.824  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1       -2.915  -0.602   2.298  0.00  0.00    -0.036 A 
ATOM     18  C   LIG    1       -2.810  -0.186   3.636  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -3.652  -0.712   4.618  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.618  -1.654   4.276  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.745  -2.066   2.953  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.904  -1.542   1.969  0.00  0.00    +0.004 A 
ENDBRANCH   9  17
BRANCH   8  23
ATOM     23  C   LIG    1        0.070  -0.666  -0.232  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        0.983  -1.704  -0.495  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        2.252  -1.435  -1.012  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        2.646  -0.120  -1.285  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        1.741   0.917  -1.035  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        0.468   0.648  -0.518  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        4.019   0.170  -1.854  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  N   LIG    1        5.107  -0.306  -0.996  0.00  0.00    -0.298 NA
ATOM     31  C   LIG    1        5.209   0.430   0.267  0.00  0.00    +0.085 C 
ATOM     32  C   LIG    1        6.599   0.067   0.770  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1        7.382  -0.338  -0.474  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1        6.415  -0.141  -1.630  0.00  0.00    +0.085 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   8  23
TORSDOF 4