REMARK  Name = BDB041506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.257  -1.105  -2.315  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.501  -0.185  -2.668  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.521  -1.231  -1.148  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.495  -2.217  -0.428  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.382  -0.041  -0.842  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.603   0.199   0.473  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.349   1.276   0.795  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        2.875   2.162  -0.143  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.627   1.891  -1.495  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.871   0.778  -1.854  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        2.551   1.563   2.128  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.227   0.479   2.993  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        3.712   3.344   0.267  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.131   3.092   0.050  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.844   2.391   0.954  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.076   2.368   0.441  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.161   3.066  -0.777  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.888   3.533  -1.002  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.411  -2.222  -2.779  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.231  -1.532  -3.757  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -0.681  -3.416  -3.148  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.752  -3.764  -0.922  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -2.409  -2.476  -1.339  0.00  0.00    +0.192 A 
ATOM     24  C   LIG    1       -2.857  -1.361  -0.604  0.00  0.00    +0.154 A 
ATOM     25  O   LIG    1       -2.502  -0.107  -1.038  0.00  0.00    -0.489 OA
ATOM     26  C   LIG    1       -3.276   0.968  -0.498  0.00  0.00    +0.235 C 
ATOM     27  C   LIG    1       -3.353   0.926   1.032  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1       -4.060  -0.384   1.412  0.00  0.00    +0.048 C 
ATOM     29  C   LIG    1       -4.168   2.124   1.544  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1       -1.944   0.986   1.655  0.00  0.00    +0.014 C 
ATOM     31  C   LIG    1       -3.603  -1.548   0.571  0.00  0.00    -0.003 A 
ATOM     32  C   LIG    1       -3.955  -2.845   0.965  0.00  0.00    +0.011 A 
ATOM     33  C   LIG    1       -3.544  -3.944   0.216  0.00  0.00    +0.048 A 
BRANCH  22  35
ATOM     34  C   LIG    1       -1.351  -5.587  -1.027  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -2.427  -4.876  -1.648  0.00  0.00    -0.493 OA
ENDBRANCH  22  35
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7