REMARK  Name = BDB037236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.137  -0.745   2.040  0.00  0.00    -0.219 N 
ATOM      2  H   LIG    1       -0.655  -1.602   1.833  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1       -0.599   0.475   1.726  0.00  0.00    +0.274 C 
ATOM      4  O   LIG    1       -1.236   1.514   1.594  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.877   0.461   1.502  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        1.318   1.167   0.436  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.645   1.161   0.198  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.570   0.476   0.983  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.082  -0.243   2.082  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.716  -0.255   2.349  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.134   1.872  -0.878  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.117   2.493  -1.659  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.041   0.496   0.664  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.402  -0.323  -0.491  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.449   0.053  -1.257  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.538  -0.912  -2.175  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        5.586  -1.926  -1.980  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        4.879  -1.531  -0.869  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.800  -0.960   2.018  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -3.239  -0.227   3.184  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -2.887  -2.491   1.891  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -3.860  -2.780   2.014  0.00  0.00    +0.199 HD
BRANCH  19  24
ATOM     23  C   LIG    1       -4.735   0.373   0.586  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1       -3.502  -0.286   0.541  0.00  0.00    +0.149 A 
ATOM     25  C   LIG    1       -2.807  -0.385  -0.676  0.00  0.00    +0.160 A 
ATOM     26  C   LIG    1       -3.312   0.261  -1.815  0.00  0.00    +0.084 A 
ATOM     27 CL   LIG    1       -2.452   0.281  -3.313  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -4.539   0.923  -1.762  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1       -5.261   0.957  -0.571  0.00  0.00    +0.048 A 
BRANCH  23  31
ATOM     30  C   LIG    1       -5.546   1.672   2.311  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -5.502   0.370   1.718  0.00  0.00    -0.494 OA
ENDBRANCH  23  31
BRANCH  25  32
ATOM     32  O   LIG    1       -1.621  -1.075  -0.736  0.00  0.00    -0.492 OA
ATOM     33  C   LIG    1       -1.804  -2.371  -1.317  0.00  0.00    +0.277 C 
ENDBRANCH  25  32
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 8