REMARK  Name = BDB037239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.690   0.767  -0.571  0.00  0.00    -0.219 N 
ATOM      2  H   LIG    1       -0.453  -0.017   0.025  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1        0.277   1.722  -0.722  0.00  0.00    +0.274 C 
ATOM      4  O   LIG    1        0.148   2.837  -1.211  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.601   1.288  -0.170  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        1.653   0.025   0.334  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.826  -0.361   0.882  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.956   0.445   0.968  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.857   1.745   0.436  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.668   2.175  -0.146  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        2.907  -1.622   1.440  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        1.887  -2.506   0.982  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.208  -0.034   1.657  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.409   0.229   0.876  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        7.274   1.189   1.270  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        8.247   1.133   0.357  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        8.012   0.141  -0.615  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.818  -0.431  -0.252  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.312   1.188  -0.528  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -2.674   1.398  -1.915  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -2.380   2.199   0.621  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -3.341   2.546   0.711  0.00  0.00    +0.199 HD
BRANCH  19  24
ATOM     23  C   LIG    1       -4.630   0.014   0.324  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1       -3.282  -0.199   0.008  0.00  0.00    +0.148 A 
ATOM     25  C   LIG    1       -2.743  -1.485   0.128  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1       -3.525  -2.526   0.653  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -4.849  -2.295   1.017  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -5.404  -1.026   0.851  0.00  0.00    +0.047 A 
BRANCH  25  29
ATOM     29  O   LIG    1       -1.438  -1.740  -0.206  0.00  0.00    -0.494 OA
ATOM     30  C   LIG    1       -1.350  -2.670  -1.289  0.00  0.00    +0.277 C 
ENDBRANCH  25  29
BRANCH  23  31
ATOM     31  O   LIG    1       -5.204   1.257   0.212  0.00  0.00    -0.491 OA
BRANCH  31  33
ATOM     32  C   LIG    1       -7.111   2.380  -0.685  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1       -6.041   1.339  -0.949  0.00  0.00    +0.226 C 
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 9