REMARK  Name = BDB025490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.518   1.509   0.540  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        3.712   0.646   1.482  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        2.720  -0.164   0.698  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1        1.737  -0.864   1.261  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1        1.029  -1.395   0.210  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1        1.721  -1.184  -1.000  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -0.214  -2.007   0.500  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -0.466  -2.352   1.654  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.757  -0.330  -0.700  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        3.797   0.319  -1.538  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        4.994   0.745  -0.665  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.176  -2.168  -0.663  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -2.557  -1.633  -0.313  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -3.644  -2.500  -0.130  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -4.905  -1.951   0.122  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -5.077  -0.571   0.269  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -3.993   0.307   0.139  0.00  0.00    -0.017 A 
ATOM     18  N   LIG    1       -3.531  -3.884  -0.339  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -4.222  -4.395   0.206  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -2.188  -4.424  -0.192  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -2.738  -0.243  -0.162  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -1.222  -3.646  -1.074  0.00  0.00    +0.036 C 
BRANCH  17  23
ATOM     23  C   LIG    1       -4.163   1.758   0.304  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1       -5.109   2.468  -0.444  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -5.227   3.837  -0.256  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1       -4.479   4.542   0.617  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1       -3.574   3.845   1.335  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -3.381   2.478   1.216  0.00  0.00    +0.028 A 
ENDBRANCH  17  23
ENDBRANCH   7  12
BRANCH   1  30
ATOM     29  C   LIG    1        5.975   3.768   0.270  0.00  0.00    +0.215 C 
ATOM     30  S   LIG    1        5.721   2.385   1.363  0.00  0.00    +0.029 S 
ATOM     31  O   LIG    1        6.918   1.573   1.379  0.00  0.00    -0.158 OA
ATOM     32  O   LIG    1        5.142   2.899   2.584  0.00  0.00    -0.158 OA
ENDBRANCH   1  30
BRANCH   6  33
ATOM     33  N   LIG    1        1.424  -1.734  -2.205  0.00  0.00    -0.343 N 
ATOM     34  H   LIG    1        2.082  -1.592  -2.971  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1        1.030  -2.671  -2.266  0.00  0.00    +0.144 HD
ENDBRANCH   6  33
TORSDOF 4