REMARK  Name = BDB015626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.719  -1.087   0.095  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1       -1.850   0.228   0.131  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -0.701   0.885  -0.020  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1        0.477   0.304  -0.232  0.00  0.00    -0.175 NA
ATOM      5  C   LIG    1        0.445  -1.025  -0.320  0.00  0.00    +0.328 A 
ATOM      6  N   LIG    1       -0.632  -1.782  -0.169  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.715   2.373   0.039  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -1.864   3.029   0.304  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -1.935   4.414   0.370  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.221   5.028   0.665  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -0.825   5.231   0.169  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -0.829   6.457   0.214  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        0.446   4.521  -0.123  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        0.478   3.184  -0.179  0.00  0.00    +0.018 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     15  N   LIG    1       -2.935  -1.772   0.155  0.00  0.00    -0.188 N 
ATOM     16  H   LIG    1       -3.715  -1.134   0.295  0.00  0.00    +0.176 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -2.999  -3.033   1.247  0.00  0.00    +0.045 S 
ATOM     18  O   LIG    1       -2.071  -2.790   2.329  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -4.411  -3.215   1.518  0.00  0.00    -0.155 OA
BRANCH  17  21
ATOM     20  C   LIG    1       -2.559  -5.724   1.048  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1       -2.452  -4.429   0.265  0.00  0.00    +0.185 C 
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   5  22
ATOM     22  O   LIG    1        1.626  -1.726  -0.528  0.00  0.00    -0.420 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.676  -1.004  -1.044  0.00  0.00    +0.170 A 
ATOM     24  C   LIG    1        2.621  -0.508  -2.350  0.00  0.00    +0.166 A 
ATOM     25  F   LIG    1        1.531  -0.711  -3.104  0.00  0.00    -0.202 F 
ATOM     26  C   LIG    1        3.691   0.198  -2.887  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1        4.835   0.401  -2.117  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        4.906  -0.111  -0.817  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        3.832  -0.829  -0.269  0.00  0.00    -0.005 A 
ATOM     30  C   LIG    1        3.916  -1.372   1.128  0.00  0.00    +0.047 C 
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 6