REMARK  Name = BDB037242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.685   1.020   0.309  0.00  0.00    +0.256 C 
ATOM      2  N   LIG    1       -1.152   1.630   1.436  0.00  0.00    -0.221 N 
ATOM      3  H   LIG    1       -0.689   1.532   2.321  0.00  0.00    +0.166 HD
ATOM      4  O   LIG    1       -1.329   0.789  -0.708  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        2.394  -1.076  -0.247  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.365  -0.413   0.518  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        2.999   0.760   1.198  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        1.690   1.246   1.131  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.725   0.555   0.388  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        1.081  -0.606  -0.305  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        2.679  -2.111  -2.293  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        2.733  -2.246  -0.872  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        4.788  -0.917   0.579  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.577  -0.450  -0.555  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.998  -1.321  -1.499  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.711  -0.564  -2.336  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.771   0.779  -1.927  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.041   0.822  -0.763  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -2.784   1.968   1.645  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -2.912   1.950   3.089  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -2.941   3.243   0.804  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -3.933   3.478   0.739  0.00  0.00    +0.199 HD
BRANCH  19  23
ATOM     23  C   LIG    1       -3.800   0.646   1.034  0.00  0.00    +0.148 A 
ATOM     24  C   LIG    1       -4.965   0.916   0.302  0.00  0.00    +0.142 A 
ATOM     25  C   LIG    1       -5.773  -0.139  -0.134  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -5.407  -1.456   0.128  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -4.245  -1.728   0.849  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -3.433  -0.686   1.318  0.00  0.00    +0.142 A 
BRANCH  24  29
ATOM     29  O   LIG    1       -5.377   2.206   0.084  0.00  0.00    -0.494 OA
ATOM     30  C   LIG    1       -5.492   2.498  -1.313  0.00  0.00    +0.277 C 
ENDBRANCH  24  29
BRANCH  28  31
ATOM     31  O   LIG    1       -2.304  -0.892   2.068  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1       -1.836  -2.227   2.217  0.00  0.00    +0.277 C 
ENDBRANCH  28  31
ENDBRANCH  19  23
ENDBRANCH   2  19
TORSDOF 8