REMARK  Name = BDB037165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.841  -0.108  -1.157  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -1.683  -0.231  -0.164  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.832   0.344  -2.026  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -0.979   0.439  -3.234  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.461   0.720  -1.361  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.576   0.546  -2.115  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.765   0.849  -1.554  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        2.907   1.337  -0.260  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        1.741   1.507   0.497  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.501   1.199  -0.056  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.917   0.666  -2.293  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        3.673   0.178  -3.611  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.255   1.637   0.334  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        4.738   0.514   1.124  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        4.436   0.434   2.439  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.045  -0.687   2.833  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        5.736  -1.321   1.785  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.522  -0.518   0.690  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.397  -0.425  -1.660  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -4.065   0.827  -1.943  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.355  -1.516  -2.610  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.005  -0.415   1.043  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -4.157  -1.066  -0.184  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -4.914  -2.241  -0.268  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1       -5.510  -2.766   0.880  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.343  -2.126   2.108  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.586  -0.956   2.193  0.00  0.00    +0.047 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -4.021   1.865   1.355  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -3.215   0.698   1.155  0.00  0.00    -0.493 OA
ENDBRANCH  22  29
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7