REMARK  Name = BDB012254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.091  -0.208  -2.450  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.277   0.072  -1.573  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1        0.049  -0.153  -1.817  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        0.194  -0.628  -2.701  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.164  -0.095  -0.876  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        2.471   0.228  -1.621  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1        3.213  -1.035  -2.056  0.00  0.00    +0.015 C 
ATOM      8  C   LIG    1        3.596  -1.928  -0.860  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        2.672  -1.726   0.355  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1        1.245  -1.409  -0.079  0.00  0.00    +0.023 C 
BRANCH   8  11
ATOM     11  C   LIG    1        5.022  -1.744  -0.466  0.00  0.00    +0.221 A 
ATOM     12  O   LIG    1        5.444  -0.478  -0.154  0.00  0.00    -0.420 OA
ATOM     13  C   LIG    1        6.764  -0.692   0.151  0.00  0.00    +0.248 A 
ATOM     14  N   LIG    1        7.108  -1.959   0.039  0.00  0.00    -0.107 NA
ATOM     15  N   LIG    1        5.978  -2.642  -0.361  0.00  0.00    -0.112 NA
BRANCH  13  16
ATOM     16  C   LIG    1        7.560   0.463   0.539  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        7.020   1.752   0.589  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        7.841   2.801   0.968  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        9.142   2.654   1.294  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        9.647   1.404   1.240  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        8.907   0.293   0.873  0.00  0.00    +0.033 A 
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  22
ATOM     22  C   LIG    1       -1.661   0.718  -0.256  0.00  0.00    +0.107 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.168   0.758  -0.028  0.00  0.00    +0.086 C 
BRANCH  23  24
ATOM     24  S   LIG    1       -3.800  -0.875   0.483  0.00  0.00    -0.087 S 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.502  -0.537   0.527  0.00  0.00    +0.170 A 
ATOM     26  N   LIG    1       -6.254  -1.665   0.421  0.00  0.00    -0.301 N 
ATOM     27  H   LIG    1       -5.792  -2.555   0.316  0.00  0.00    +0.171 HD
ATOM     28  C   LIG    1       -7.622  -1.651   0.438  0.00  0.00    +0.260 A 
ATOM     29  O   LIG    1       -8.291  -2.673   0.343  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1       -8.239  -0.320   0.582  0.00  0.00    +0.065 A 
ATOM     31  C   LIG    1       -7.382   0.780   0.688  0.00  0.00    +0.079 A 
ATOM     32  C   LIG    1       -7.942   2.052   0.825  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1       -9.331   2.217   0.855  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1      -10.173   1.109   0.748  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -9.629  -0.167   0.611  0.00  0.00    +0.015 A 
ATOM     36  N   LIG    1       -5.981   0.653   0.661  0.00  0.00    -0.223 NA
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 7