REMARK  Name = BDB047083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.447  -0.740   0.402  0.00  0.00    -0.263 N 
ATOM      2  N   LIG    1        0.037  -0.479  -0.856  0.00  0.00    -0.176 NA
ATOM      3  C   LIG    1       -1.287  -0.330  -0.737  0.00  0.00    +0.180 A 
ATOM      4  C   LIG    1       -1.715  -0.484   0.594  0.00  0.00    +0.169 A 
ATOM      5  C   LIG    1       -0.576  -0.767   1.307  0.00  0.00    +0.155 A 
ENDROOT
BRANCH   1   8
ATOM      6  N   LIG    1        4.119  -0.370   0.361  0.00  0.00    -0.179 NA
ATOM      7  C   LIG    1        2.744   0.220   0.361  0.00  0.00    +0.135 C 
ATOM      8  C   LIG    1        1.844  -0.967   0.683  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1        2.494  -2.080  -0.128  0.00  0.00    +0.045 C 
ATOM     10  C   LIG    1        3.984  -1.826   0.070  0.00  0.00    +0.111 C 
BRANCH   6  11
ATOM     11  S   LIG    1        5.266   0.511  -0.523  0.00  0.00    +0.032 S 
ATOM     12  O   LIG    1        5.178   1.885  -0.079  0.00  0.00    -0.158 OA
ATOM     13  O   LIG    1        5.109   0.156  -1.916  0.00  0.00    -0.158 OA
BRANCH  11  15
ATOM     14  C   LIG    1        8.000   0.499  -0.533  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        6.799  -0.182   0.092  0.00  0.00    +0.182 C 
ENDBRANCH  11  15
ENDBRANCH   6  11
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  O   LIG    1       -2.936  -0.445   1.165  0.00  0.00    -0.420 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -4.029   0.103   0.516  0.00  0.00    +0.327 A 
ATOM     18  N   LIG    1       -5.219  -0.384   0.904  0.00  0.00    -0.193 NA
ATOM     19  C   LIG    1       -6.317   0.156   0.342  0.00  0.00    +0.099 A 
ATOM     20  C   LIG    1       -6.252   1.185  -0.593  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1       -7.425   1.725  -1.159  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -8.642   1.205  -0.761  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1       -8.756   0.211   0.139  0.00  0.00    -0.261 NA
ATOM     24  C   LIG    1       -4.963   1.600  -0.887  0.00  0.00    +0.226 A 
ATOM     25  C   LIG    1       -7.596  -0.278   0.658  0.00  0.00    +0.139 A 
ATOM     26  N   LIG    1       -3.842   1.099  -0.363  0.00  0.00    -0.159 NA
BRANCH  24  27
ATOM     27  O   LIG    1       -4.737   2.606  -1.776  0.00  0.00    -0.492 OA
ATOM     28  H   LIG    1       -3.765   2.671  -1.742  0.00  0.00    +0.294 HD
ENDBRANCH  24  27
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6