REMARK  Name = BDB002264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.159  -0.811  -0.252  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -0.411  -0.007  -0.518  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.512  -2.017  -0.129  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1       -0.023  -3.092   0.209  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        4.215   0.167   0.423  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        3.785  -1.151   0.590  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        2.449  -1.509   0.374  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        1.519  -0.546  -0.011  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        1.948   0.776  -0.173  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        3.286   1.133   0.043  0.00  0.00    +0.047 A 
BRANCH   5  11
ATOM     11  O   LIG    1        5.542   0.368   0.672  0.00  0.00    -0.492 OA
BRANCH  11  13
ATOM     12  C   LIG    1        5.992   2.545   1.642  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1        6.105   1.653   0.418  0.00  0.00    +0.225 C 
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   3  14
ATOM     14  C   LIG    1       -1.988  -1.920  -0.503  0.00  0.00    +0.205 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -2.699  -0.994   0.420  0.00  0.00    -0.169 NA
ATOM     16  C   LIG    1       -3.755  -1.655   1.205  0.00  0.00    +0.132 C 
BRANCH  15  17
ATOM     17  S   LIG    1       -3.093   0.520  -0.228  0.00  0.00    +0.080 S 
ATOM     18  O   LIG    1       -1.909   1.013  -0.908  0.00  0.00    -0.151 OA
ATOM     19  O   LIG    1       -3.773   1.308   0.777  0.00  0.00    -0.151 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -4.272   0.327  -1.500  0.00  0.00    +0.211 A 
ATOM     21  N   LIG    1       -4.652  -0.907  -2.008  0.00  0.00    -0.217 NA
ATOM     22  C   LIG    1       -5.539  -0.632  -2.938  0.00  0.00    +0.198 A 
ATOM     23  N   LIG    1       -5.750   0.714  -3.056  0.00  0.00    -0.349 N 
ATOM     24  H   LIG    1       -6.387   1.158  -3.704  0.00  0.00    +0.166 HD
ATOM     25  C   LIG    1       -4.946   1.343  -2.146  0.00  0.00    +0.133 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 7