REMARK  Name = BDB034862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.077   1.956  -0.030  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1        0.206   1.978   0.033  0.00  0.00    +0.150 C 
ATOM      3  N   LIG    1        1.184   1.089  -0.355  0.00  0.00    -0.307 N 
ATOM      4  C   LIG    1        2.173   1.491  -1.361  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1        2.448   2.990  -1.342  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1        2.480   3.520   0.079  0.00  0.00    +0.078 C 
ATOM      7  S   LIG    1        0.831   3.440   0.824  0.00  0.00    -0.093 S 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.369   0.538  -1.819  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1       -1.701   0.955  -0.715  0.00  0.00    +0.271 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.852   0.422   0.015  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1       -3.731  -0.630  -0.406  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -4.671  -0.811   0.603  0.00  0.00    +0.139 A 
ATOM     13  N   LIG    1       -5.685  -1.695   0.636  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1       -5.744  -2.467  -0.473  0.00  0.00    +0.113 A 
ATOM     15  C   LIG    1       -4.878  -2.399  -1.555  0.00  0.00    +0.020 A 
ATOM     16  N   LIG    1       -4.402   0.084   1.599  0.00  0.00    -0.345 N 
ATOM     17  H   LIG    1       -4.947   0.159   2.445  0.00  0.00    +0.167 HD
ATOM     18  C   LIG    1       -3.842  -1.464  -1.534  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1       -3.306   0.833   1.263  0.00  0.00    +0.098 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1        1.002  -0.356  -0.206  0.00  0.00    +0.142 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.208  -0.993   0.451  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.635  -0.569   1.720  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.741  -1.159   2.330  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.431  -2.183   1.683  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.014  -2.617   0.426  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        2.907  -2.028  -0.187  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4