REMARK  Name = BDB057052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.099  -0.803  -0.128  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -3.070  -1.625   0.455  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -1.924  -0.511  -0.786  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1       -0.879  -1.247  -0.256  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1       -0.963  -1.455   0.728  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1       -1.776   0.265  -1.720  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -6.736  -0.240   0.248  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -5.447  -0.775   0.369  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -4.364  -0.212  -0.321  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1       -4.587   0.897  -1.137  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -5.873   1.425  -1.277  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -6.945   0.856  -0.591  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -8.774   0.430   1.988  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1       -8.074  -1.013   1.142  0.00  0.00    -0.129 S 
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   4  15
ATOM     15  C   LIG    1        0.483  -1.058  -0.747  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1        1.339  -2.281  -0.420  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        2.787  -2.063  -0.855  0.00  0.00    +0.086 C 
ATOM     18  N   LIG    1        3.352  -0.861  -0.225  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        2.577   0.336  -0.594  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1        1.119   0.202  -0.156  0.00  0.00    +0.038 C 
BRANCH  18  21
ATOM     21  C   LIG    1        4.771  -0.716  -0.606  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.513   0.320   0.213  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1        5.570   0.216   1.611  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        6.265   1.161   2.366  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.915   2.219   1.732  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.869   2.331   0.344  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.174   1.387  -0.413  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   4  15
TORSDOF 5