REMARK  Name = BDB030205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.774  -0.623  -0.744  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.410  -0.153  -1.282  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.591   0.853  -1.354  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.876  -1.777  -0.328  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.275   0.657  -0.042  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -3.140  -0.169  -0.146  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -1.926   0.312  -0.668  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -1.849   1.638  -1.091  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.701   2.126  -1.588  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -2.963   2.470  -0.996  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -2.872   4.110  -1.518  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.165   1.987  -0.477  0.00  0.00    +0.031 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -9.241  -0.004  -0.434  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -7.960  -0.203   0.321  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -6.750   0.290  -0.192  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -5.540   0.141   0.508  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -5.574  -0.512   1.751  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -6.775  -0.993   2.277  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -7.963  -0.834   1.568  0.00  0.00    +0.003 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1        1.651  -1.013  -1.007  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1        1.362  -1.918  -0.600  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1        2.776  -0.264   0.044  0.00  0.00    +0.045 S 
ATOM     23  O   LIG    1        2.670   1.162  -0.186  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1        2.573  -0.848   1.350  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.308  -0.874  -0.646  0.00  0.00    +0.191 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.527  -0.569   0.232  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1        5.847   0.935   0.290  0.00  0.00    +0.086 C 
ATOM     28  N   LIG    1        7.060   1.211   1.064  0.00  0.00    -0.316 NA
ATOM     29  H   LIG    1        6.917   0.914   2.030  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        8.222   0.516   0.513  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1        8.006  -0.993   0.481  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1        6.743  -1.348  -0.297  0.00  0.00    +0.007 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6