REMARK  Name = BDB006790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.812  -0.853   1.278  0.00  0.00    -0.320 N 
ATOM      2  H   LIG    1       -0.887  -1.732   1.797  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   6
ATOM      3  O   LIG    1       -2.393  -3.197   1.767  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -3.147  -2.675   0.968  0.00  0.00    +0.250 C 
ATOM      5  C   LIG    1       -2.954  -1.360   0.255  0.00  0.00    +0.061 C 
ATOM      6  C   LIG    1       -1.872  -0.592   0.444  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1       -4.127  -1.170  -0.597  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -4.949  -2.285  -0.402  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -6.151  -2.448  -1.047  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -6.547  -1.440  -1.934  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -5.737  -0.291  -2.156  0.00  0.00    +0.079 A 
ATOM     12  N   LIG    1       -6.052   0.750  -3.013  0.00  0.00    -0.247 NA
ATOM     13  C   LIG    1       -5.095   1.648  -2.982  0.00  0.00    +0.157 A 
ATOM     14  S   LIG    1       -3.773   1.317  -1.951  0.00  0.00    -0.075 S 
ATOM     15  C   LIG    1       -4.511  -0.162  -1.474  0.00  0.00    +0.049 A 
ATOM     16  N   LIG    1       -4.366  -3.158   0.514  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1       -4.755  -4.034   0.828  0.00  0.00    +0.155 HD
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        0.364  -0.118   1.499  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        1.266  -0.580   2.473  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        2.452   0.105   2.754  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        2.752   1.268   2.047  0.00  0.00    +0.109 A 
ATOM     22  C   LIG    1        1.864   1.762   1.090  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        0.680   1.067   0.820  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  S   LIG    1        4.254   2.150   2.409  0.00  0.00    +0.073 S 
ATOM     25  O   LIG    1        4.512   1.993   3.826  0.00  0.00    -0.150 OA
ATOM     26  O   LIG    1        4.155   3.468   1.815  0.00  0.00    -0.150 OA
BRANCH  24  27
ATOM     27  N   LIG    1        5.439   1.269   1.603  0.00  0.00    -0.199 N 
ATOM     28  H   LIG    1        5.635   0.393   2.083  0.00  0.00    +0.175 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.237   1.049   0.229  0.00  0.00    +0.138 A 
ATOM     30  N   LIG    1        5.016  -0.248  -0.043  0.00  0.00    -0.239 NA
ATOM     31  C   LIG    1        4.779  -0.553  -1.338  0.00  0.00    +0.113 A 
ATOM     32  C   LIG    1        4.763   0.384  -2.361  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        5.008   1.715  -2.039  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        5.252   2.061  -0.714  0.00  0.00    +0.045 A 
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 5