REMARK  Name = BDB018837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.355  -0.591  -0.344  0.00  0.00    +0.080 A 
ATOM      2  N   LIG    1        0.437  -0.895   0.652  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1       -0.760  -1.091   0.146  0.00  0.00    +0.167 A 
ATOM      4  S   LIG    1       -0.828  -1.040  -1.561  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1        0.833  -0.628  -1.621  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.951   0.590  -0.593  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        3.620   0.316  -0.931  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        2.748  -0.295  -0.017  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        3.240  -0.619   1.255  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        4.566  -0.349   1.599  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.422   0.254   0.675  0.00  0.00    +0.045 A 
BRANCH   6  13
ATOM     12  C   LIG    1        7.038   1.486  -1.300  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        5.678   1.187  -1.587  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   3  14
ATOM     14  N   LIG    1       -1.854  -1.481   0.914  0.00  0.00    -0.252 N 
ATOM     15  C   LIG    1       -3.188  -1.399   0.516  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1       -4.009  -2.228   0.927  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -1.585  -2.192   2.160  0.00  0.00    +0.140 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.655  -0.184  -0.324  0.00  0.00    +0.170 C 
ATOM     19  N   LIG    1       -5.162  -0.067  -0.360  0.00  0.00    -0.258 N 
ATOM     20  C   LIG    1       -5.555   1.312   0.013  0.00  0.00    +0.117 C 
ATOM     21  C   LIG    1       -4.282   2.124  -0.134  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -3.207   1.145   0.295  0.00  0.00    +0.034 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -5.961  -0.927  -1.006  0.00  0.00    +0.170 C 
ATOM     24  N   LIG    1       -6.653  -1.635  -1.605  0.00  0.00    -0.174 NA
ENDBRANCH  19  23
ENDBRANCH  15  18
ENDBRANCH   3  14
TORSDOF 5