REMARK  Name = BDB018869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.206  -1.033  -0.807  0.00  0.00    +0.098 A 
ATOM      2  N   LIG    1       -0.018  -0.856  -0.169  0.00  0.00    -0.223 NA
ATOM      3  C   LIG    1       -0.481  -1.993   0.292  0.00  0.00    +0.167 A 
ATOM      4  S   LIG    1        0.547  -3.345  -0.003  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1        1.667  -2.333  -0.803  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        3.850   0.814  -2.479  0.00  0.00    +0.215 A 
ATOM      7  N   LIG    1        3.172  -0.204  -1.908  0.00  0.00    -0.211 NA
ATOM      8  C   LIG    1        1.934   0.074  -1.425  0.00  0.00    +0.094 A 
ATOM      9  C   LIG    1        1.361   1.341  -1.504  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        2.086   2.369  -2.099  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.355   2.102  -2.597  0.00  0.00    +0.067 A 
BRANCH   6  13
ATOM     12  C   LIG    1        5.562  -0.743  -2.838  0.00  0.00    +0.279 C 
ATOM     13  O   LIG    1        5.115   0.600  -2.989  0.00  0.00    -0.480 OA
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   3  14
ATOM     14  N   LIG    1       -1.674  -2.201   0.991  0.00  0.00    -0.252 N 
ATOM     15  C   LIG    1       -2.545  -1.146   1.289  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1       -3.509  -1.332   2.050  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -2.053  -3.519   1.508  0.00  0.00    +0.140 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -2.325   0.273   0.723  0.00  0.00    +0.170 C 
ATOM     19  N   LIG    1       -3.619   1.053   0.632  0.00  0.00    -0.258 N 
ATOM     20  C   LIG    1       -3.541   2.221   1.532  0.00  0.00    +0.117 C 
ATOM     21  C   LIG    1       -2.051   2.490   1.637  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -1.456   1.096   1.686  0.00  0.00    +0.034 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.731   0.617   0.030  0.00  0.00    +0.170 C 
ATOM     24  N   LIG    1       -5.682   0.254  -0.521  0.00  0.00    -0.174 NA
ENDBRANCH  19  23
ENDBRANCH  15  18
ENDBRANCH   3  14
TORSDOF 5