REMARK  Name = BDB048276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.275  -1.866   0.548  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1        3.070  -2.308   0.703  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1        2.811  -3.631   0.961  0.00  0.00    -0.249 N 
ATOM      4  C   LIG    1        3.878  -4.603   1.068  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1        1.492  -3.993   1.107  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1        1.063  -5.116   1.331  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        0.618  -2.797   0.948  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1       -0.717  -2.885   1.033  0.00  0.00    +0.028 C 
ATOM      9  S   LIG    1        1.572  -1.405   0.630  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.986   2.213  -0.238  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1        4.955   1.737   1.079  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        4.720   0.384   1.337  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        4.494  -0.508   0.287  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1        4.542  -0.039  -1.028  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        4.776   1.313  -1.290  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1        3.917   4.458  -0.559  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        5.220   3.675  -0.517  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  C   LIG    1       -1.669  -1.780   0.879  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1       -2.598  -1.813  -0.165  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -3.507  -0.768  -0.299  0.00  0.00    +0.125 A 
ATOM     21  N   LIG    1       -3.533   0.268   0.555  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1       -2.633   0.283   1.562  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1       -1.694  -0.710   1.768  0.00  0.00    +0.028 A 
BRANCH  20  24
ATOM     24  N   LIG    1       -4.412  -0.840  -1.361  0.00  0.00    -0.270 N 
ATOM     25  H   LIG    1       -4.373  -1.656  -1.956  0.00  0.00    +0.156 HD
ATOM     26  C   LIG    1       -5.381   0.038  -1.743  0.00  0.00    +0.219 C 
ATOM     27  O   LIG    1       -6.092  -0.273  -2.704  0.00  0.00    -0.275 OA
BRANCH  26  28
ATOM     28  C   LIG    1       -5.581   1.343  -1.004  0.00  0.00    +0.107 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.672   2.188  -1.647  0.00  0.00    +0.129 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.936   3.406  -0.809  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1       -6.329   4.460  -0.925  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.896   3.221   0.124  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -8.294   2.330   0.112  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  20  24
ENDBRANCH   8  18
TORSDOF 8