REMARK  Name = BDB049744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.605   0.265   1.137  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        0.348   0.514   2.136  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.724   0.515   1.861  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.202   0.265   0.568  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        1.248   0.016  -0.430  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.128   0.016  -0.150  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.636   0.251   0.206  0.00  0.00    +0.109 A 
ATOM      8  S   LIG    1        4.876   0.546   1.367  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        6.082   0.345   0.161  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        5.461   0.064  -1.055  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        6.263  -0.140  -2.196  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        7.655  -0.059  -2.092  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        8.254   0.223  -0.868  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        7.480   0.429   0.278  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        4.079   0.014  -1.014  0.00  0.00    -0.239 NA
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  N   LIG    1       -1.964   0.280   1.487  0.00  0.00    -0.299 N 
ATOM     17  H   LIG    1       -2.141   0.476   2.462  0.00  0.00    +0.154 HD
BRANCH  16  24
ATOM     18  C   LIG    1       -4.276  -0.390  -1.243  0.00  0.00    +0.321 A 
ATOM     19  N   LIG    1       -5.521  -0.337  -0.740  0.00  0.00    -0.177 NA
ATOM     20  C   LIG    1       -5.512  -0.063   0.570  0.00  0.00    +0.147 A 
ATOM     21  C   LIG    1       -4.403   0.152   1.371  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -4.899   0.406   2.685  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1       -6.276   0.337   2.637  0.00  0.00    +0.085 A 
ATOM     24  C   LIG    1       -3.140   0.076   0.749  0.00  0.00    +0.139 A 
ATOM     25  N   LIG    1       -6.634   0.051   1.344  0.00  0.00    -0.346 N 
ATOM     26  H   LIG    1       -7.574  -0.062   0.993  0.00  0.00    +0.167 HD
ATOM     27  N   LIG    1       -3.122  -0.201  -0.578  0.00  0.00    -0.179 NA
BRANCH  18  29
ATOM     28  C   LIG    1       -5.321  -0.861  -3.283  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1       -4.100  -0.663  -2.585  0.00  0.00    -0.466 OA
ENDBRANCH  18  29
ENDBRANCH  16  24
ENDBRANCH   1  16
TORSDOF 4