REMARK  Name = BDB037216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.579  -0.614   1.595  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.360   0.095   0.894  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.504  -1.173   2.305  0.00  0.00    +0.300 C 
ATOM      4  O   LIG    1        0.380  -1.908   3.271  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.839  -0.755   1.738  0.00  0.00    +0.220 A 
ATOM      6  N   LIG    1        1.801   0.144   0.728  0.00  0.00    -0.188 NA
ATOM      7  C   LIG    1        2.996   0.512   0.233  0.00  0.00    +0.223 A 
ATOM      8  C   LIG    1        4.207   0.040   0.706  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        4.114  -0.875   1.737  0.00  0.00    +0.124 A 
ATOM     10  N   LIG    1        2.953  -1.282   2.278  0.00  0.00    -0.231 NA
BRANCH   7  11
ATOM     11  O   LIG    1        3.035   1.457  -0.771  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        1.764   1.742  -1.346  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.528   0.447   0.133  0.00  0.00    +0.185 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.106  -0.620  -0.674  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.586  -0.911  -1.883  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.346  -1.919  -2.321  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.353  -2.267  -1.404  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        7.177  -1.405  -0.347  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.155  -0.711   2.086  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.565  -2.097   2.022  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.329   0.091   3.278  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.584   1.384   0.332  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -3.022   0.143   0.789  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -4.164  -0.453   0.231  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1       -4.891   0.168  -0.801  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -4.410   1.412  -1.252  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -3.271   2.012  -0.704  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -6.132  -0.435  -1.434  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -6.264  -1.925  -1.632  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -7.121  -1.228  -0.615  0.00  0.00    +0.009 C 
ENDBRANCH  25  28
BRANCH  22  32
ATOM     31  C   LIG    1       -1.742   3.078   1.643  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -1.437   1.950   0.817  0.00  0.00    -0.493 OA
ENDBRANCH  22  32
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8