REMARK  Name = BDB064006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.267  -2.989   2.561  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        2.126  -2.232   1.623  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        3.161  -1.485   0.858  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        4.462  -1.569   1.163  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        2.558  -0.777  -0.160  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        1.286  -1.026  -0.030  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1        0.984  -1.863   0.994  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        0.076  -2.239   1.207  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        5.571  -0.896   0.468  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.451   0.407  -0.043  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.565   0.999  -0.665  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        7.788   0.336  -0.778  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        8.795   1.045  -1.414  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.337   2.222  -1.774  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        7.902  -0.963  -0.247  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.705   2.560  -1.384  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        6.798  -1.561   0.373  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        0.341  -0.537  -0.875  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1        0.728  -0.023  -1.660  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.002  -0.222  -0.613  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -1.528  -0.064   0.668  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -2.893   0.209   0.862  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -3.792   0.325  -0.207  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -3.248   0.157  -1.488  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -1.885  -0.110  -1.689  0.00  0.00    +0.025 A 
BRANCH  23  26
ATOM     26  N   LIG    1       -5.134   0.589  -0.010  0.00  0.00    -0.326 N 
ATOM     27  C   LIG    1       -5.641   1.179   1.240  0.00  0.00    +0.133 C 
ATOM     28  C   LIG    1       -6.934   1.967   0.967  0.00  0.00    +0.178 C 
ATOM     29  O   LIG    1       -7.991   1.179   0.401  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1       -7.518   0.079  -0.388  0.00  0.00    +0.178 C 
ATOM     31  C   LIG    1       -6.147   0.319  -1.043  0.00  0.00    +0.133 C 
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4