REMARK  Name = BDB013014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.597  -0.637  -0.085  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.726  -1.761  -0.051  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.517  -1.612  -0.618  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.129  -2.823  -0.473  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.330  -3.658   0.152  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.960  -0.422  -1.213  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.146   0.599  -1.257  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.842  -2.986   0.421  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.110   0.463  -0.701  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.588  -0.625   1.488  0.00  0.00    +0.088 A 
ATOM     11  C   LIG    1        4.741   0.452   1.758  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        3.441   0.450   1.244  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.977  -0.621   0.459  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.839  -1.705   0.225  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        5.140  -1.712   0.738  0.00  0.00    +0.027 A 
BRANCH  10  17
ATOM     16  C   LIG    1        8.213  -0.003   0.807  0.00  0.00    +0.200 C 
ATOM     17  S   LIG    1        7.238  -0.636   2.147  0.00  0.00    -0.006 S 
ATOM     18  O   LIG    1        7.614  -2.020   2.365  0.00  0.00    -0.170 OA
ATOM     19  O   LIG    1        7.287   0.329   3.229  0.00  0.00    -0.170 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -2.237  -0.372  -1.739  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.909  -1.050  -1.400  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.867   0.885  -2.105  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.711   1.378  -0.960  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -5.065   1.077  -0.847  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -5.968   0.349  -1.771  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -7.179   0.176  -0.855  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.134   1.181   0.181  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.812   1.542   0.227  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -5.261   2.310   1.231  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -3.901   2.607   1.151  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.133   2.143   0.070  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5