REMARK  Name = BDB037207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.357  -0.021   1.517  0.00  0.00    -0.219 N 
ATOM      2  H   LIG    1        0.254   0.535   2.093  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1        0.200  -0.838   0.576  0.00  0.00    +0.274 C 
ATOM      4  O   LIG    1       -0.381  -1.692  -0.084  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.665  -0.598   0.391  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        2.216   0.362   1.182  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.538   0.592   1.022  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        4.347  -0.103   0.123  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.739  -1.085  -0.672  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.378  -1.340  -0.539  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        4.149   1.529   1.829  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        3.234   2.358   2.537  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.812   0.207  -0.025  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.057   1.087  -1.160  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.968   2.426  -1.017  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.266   2.897  -2.230  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.562   1.871  -3.145  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.428   0.709  -2.422  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.848  -0.335   2.196  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -2.190   0.928   2.820  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -1.551  -1.619   2.987  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -2.436  -2.045   3.274  0.00  0.00    +0.199 HD
BRANCH  19  26
ATOM     23  C   LIG    1       -4.969  -1.055  -1.075  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1       -3.983  -0.090  -1.243  0.00  0.00    +0.092 A 
ATOM     25  C   LIG    1       -3.062   0.149  -0.217  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -3.081  -0.620   0.955  0.00  0.00    +0.148 A 
ATOM     27  C   LIG    1       -4.097  -1.568   1.149  0.00  0.00    +0.145 A 
ATOM     28  C   LIG    1       -5.032  -1.774   0.124  0.00  0.00    +0.092 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -5.854  -0.761  -3.263  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.938  -1.380  -1.985  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -2.119   1.126  -0.417  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1       -2.688   2.425  -0.239  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
BRANCH  27  33
ATOM     33  O   LIG    1       -4.150  -2.214   2.357  0.00  0.00    -0.494 OA
ATOM     34  C   LIG    1       -5.044  -3.317   2.480  0.00  0.00    +0.277 C 
ENDBRANCH  27  33
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 9