REMARK  Name = BDB017249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        5.906  -0.392  -0.419  0.00  0.00    -0.177 NA
ATOM      2  C   LIG    1        4.906  -1.292   0.177  0.00  0.00    +0.144 C 
ATOM      3  C   LIG    1        3.474  -0.899  -0.120  0.00  0.00    -0.028 A 
ATOM      4  C   LIG    1        3.164   0.045  -1.113  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1        1.823   0.379  -1.358  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.781  -0.233  -0.645  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.096  -1.188   0.326  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.257   0.746  -1.883  0.00  0.00    +0.052 C 
ATOM      9  C   LIG    1        2.431  -1.518   0.584  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        5.598   0.024  -1.799  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        5.686   1.770   1.209  0.00  0.00    +0.215 C 
ATOM     12  S   LIG    1        6.842   0.567   0.584  0.00  0.00    +0.029 S 
ATOM     13  O   LIG    1        7.261  -0.250   1.704  0.00  0.00    -0.158 OA
ATOM     14  O   LIG    1        7.811   1.266  -0.232  0.00  0.00    -0.158 OA
ENDBRANCH   1  12
BRANCH   6  15
ATOM     15  C   LIG    1       -0.627   0.171  -0.967  0.00  0.00    +0.167 C 
ATOM     16  O   LIG    1       -0.814   0.965  -1.889  0.00  0.00    -0.292 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -1.785  -0.413  -0.163  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -3.002   0.530  -0.228  0.00  0.00    +0.096 C 
ATOM     19  N   LIG    1       -4.173  -0.152   0.355  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -4.593  -1.268  -0.520  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -3.466  -1.863  -1.377  0.00  0.00    +0.016 C 
ATOM     22  C   LIG    1       -2.128  -1.832  -0.649  0.00  0.00    +0.014 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -5.284   0.814   0.517  0.00  0.00    +0.057 C 
ATOM     24  C   LIG    1       -6.461   0.173   1.305  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -5.791   0.631   2.613  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -5.037   1.685   1.782  0.00  0.00    +0.019 C 
ENDBRANCH  19  23
ENDBRANCH  15  17
ENDBRANCH   6  15
TORSDOF 4