REMARK  Name = BDB023308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.129   1.880   1.034  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.638   2.210   0.455  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.034   0.620   1.627  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        0.971   0.057   2.173  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.288   0.049   1.489  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -2.254   0.741   0.799  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -3.384  -0.018   0.817  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -3.160  -1.199   1.508  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -4.228  -2.097   1.621  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -5.465  -1.788   1.044  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.662  -0.590   0.341  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -4.079  -3.255   2.279  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.601   0.327   0.229  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.810  -1.151   1.937  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -6.923  -0.290  -0.221  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -7.942  -1.219  -0.623  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -8.588  -0.053  -1.377  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -7.201   0.595  -1.317  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        1.546   2.699   0.800  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        2.110   2.991   2.101  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        1.256   3.775  -0.126  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1        2.187   0.933  -1.226  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1        2.603   1.548  -0.038  0.00  0.00    +0.151 A 
ATOM     24  C   LIG    1        3.868   1.283   0.514  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1        4.742   0.392  -0.116  0.00  0.00    -0.013 A 
ATOM     26  C   LIG    1        4.325  -0.224  -1.302  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        3.061   0.040  -1.849  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.052   0.126   0.454  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.771  -1.042   0.295  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1        7.928  -0.882   1.002  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        8.998  -1.838   1.147  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        8.024   0.313   1.609  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.879   0.920   1.284  0.00  0.00    +0.142 A 
ENDBRANCH  25  28
BRANCH  22  35
ATOM     34  C   LIG    1        0.641   0.887  -3.038  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        0.928   1.214  -1.683  0.00  0.00    -0.493 OA
ENDBRANCH  22  35
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6