REMARK  Name = BDB055044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.458   0.559   1.322  0.00  0.00    -0.199 N 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.306  -0.869   1.460  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.865  -1.770   0.547  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        0.740  -3.146   0.752  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        0.069  -3.627   1.875  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.473  -2.734   2.797  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.349  -1.359   2.593  0.00  0.00    +0.025 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  S   LIG    1        1.727   1.263   2.229  0.00  0.00    +0.075 S 
ATOM      9  O   LIG    1        1.714   0.736   3.579  0.00  0.00    -0.150 OA
ATOM     10  O   LIG    1        1.703   2.696   2.008  0.00  0.00    -0.150 OA
BRANCH   8  14
ATOM     11  C   LIG    1        5.514  -0.321   0.209  0.00  0.00    +0.162 A 
ATOM     12  C   LIG    1        4.931   0.887  -0.232  0.00  0.00    +0.163 A 
ATOM     13  C   LIG    1        3.774   1.367   0.387  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1        3.198   0.642   1.435  0.00  0.00    +0.112 A 
ATOM     15  C   LIG    1        3.789  -0.533   1.901  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        4.941  -1.018   1.280  0.00  0.00    +0.051 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.301  -1.895  -0.003  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        6.638  -0.728  -0.466  0.00  0.00    -0.491 OA
ENDBRANCH  11  18
BRANCH  12  19
ATOM     19  O   LIG    1        5.556   1.511  -1.284  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1        5.167   2.846  -1.580  0.00  0.00    +0.277 C 
ENDBRANCH  12  19
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1        0.225   1.157  -0.018  0.00  0.00    +0.166 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.153   0.869  -0.579  0.00  0.00    -0.028 A 
ATOM     23  C   LIG    1       -2.301   1.242   0.141  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -3.580   0.988  -0.367  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1       -4.764   1.369   0.384  0.00  0.00    +0.011 C 
ATOM     26  C   LIG    1       -5.957   1.103  -0.155  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1       -6.131   0.430  -1.498  0.00  0.00    +0.123 C 
ATOM     28  O   LIG    1       -4.916   0.074  -2.190  0.00  0.00    -0.482 OA
ATOM     29  C   LIG    1       -6.902   1.367  -2.436  0.00  0.00    +0.060 C 
ATOM     30  C   LIG    1       -6.917  -0.874  -1.312  0.00  0.00    +0.060 C 
ATOM     31  C   LIG    1       -3.715   0.363  -1.607  0.00  0.00    +0.129 A 
ATOM     32  C   LIG    1       -2.582  -0.008  -2.332  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1       -1.306   0.244  -1.823  0.00  0.00    +0.009 A 
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 7