REMARK  Name = BDB002484
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.334   0.223  -0.883  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -2.984   0.295  -1.262  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -1.997   0.079  -0.291  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -0.634   0.100  -0.422  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.145  -0.152   0.776  0.00  0.00    +0.114 A 
ATOM      6  N   LIG    1       -1.167  -0.359   1.682  0.00  0.00    -0.328 N 
ATOM      7  C   LIG    1       -2.365  -0.204   1.019  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1       -3.702  -0.281   1.426  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -4.681  -0.062   0.447  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        1.319  -0.225   1.106  0.00  0.00    +0.058 C 
ATOM     11  C   LIG    1        1.866  -1.636   0.818  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        3.273  -1.616   0.224  0.00  0.00    +0.110 C 
ATOM     13  N   LIG    1        4.062  -0.586   0.922  0.00  0.00    -0.176 NA
ATOM     14  C   LIG    1        3.590   0.803   0.710  0.00  0.00    +0.110 C 
ATOM     15  C   LIG    1        2.109   0.843   0.338  0.00  0.00    +0.028 C 
BRANCH  13  16
ATOM     16  S   LIG    1        5.746  -0.797   1.007  0.00  0.00    +0.067 S 
ATOM     17  O   LIG    1        6.030  -2.182   1.313  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1        6.275   0.276   1.825  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1        6.440  -0.489  -0.609  0.00  0.00    +0.143 A 
ATOM     20  S   LIG    1        6.206  -1.693  -1.802  0.00  0.00    -0.077 S 
ATOM     21  C   LIG    1        7.054  -0.787  -2.979  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        7.514   0.410  -2.477  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        7.161   0.581  -1.108  0.00  0.00    +0.036 A 
ENDBRANCH  16  19
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  24
ATOM     24  C   LIG    1       -5.359   0.458  -1.938  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1       -5.085   0.705  -3.102  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -6.609   0.355  -1.420  0.00  0.00    -0.461 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -8.035  -0.737  -3.044  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1       -7.686   0.564  -2.346  0.00  0.00    +0.229 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH   1  24
BRANCH   6  29
ATOM     29  C   LIG    1       -1.027  -0.702   3.085  0.00  0.00    +0.120 C 
ATOM     30  C   LIG    1       -0.981   0.527   3.977  0.00  0.00    +0.027 C 
ENDBRANCH   6  29
TORSDOF 7