REMARK  Name = BDB012085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.766  -0.643   0.750  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.290   0.200   0.415  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1        0.416   0.911  -0.900  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        1.278   0.308   1.477  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        0.923  -0.485   2.552  0.00  0.00    +0.060 A 
ATOM      6  S   LIG    1       -0.525  -1.338   2.303  0.00  0.00    -0.081 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.477   1.157   1.443  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        3.512   0.738   2.248  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        3.482  -0.192   2.647  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.554   2.155   0.734  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.812   1.370   2.216  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.691   0.654   1.232  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        6.167  -0.693   1.692  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.809  -1.176   2.763  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        7.012  -1.370   0.851  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        7.317  -2.277   1.180  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        7.420  -0.908  -0.375  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        8.330  -1.792  -1.170  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        6.986   0.289  -0.797  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        6.102   1.105   0.025  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        5.718   2.420  -0.597  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  N   LIG    1       -1.878  -0.900  -0.028  0.00  0.00    -0.322 N 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.859   0.217  -0.131  0.00  0.00    +0.074 C 
ATOM     24  C   LIG    1       -3.983   0.132   0.911  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -5.247  -0.602   0.465  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -5.751  -0.265  -0.948  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1       -4.608  -0.293  -1.978  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -3.333   0.437  -1.574  0.00  0.00    +0.024 C 
BRANCH  26  29
ATOM     29  N   LIG    1       -6.591   0.943  -1.107  0.00  0.00    -0.305 NA
ATOM     30  C   LIG    1       -6.156   2.148  -0.412  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1       -7.992   0.667  -0.767  0.00  0.00    +0.104 C 
ENDBRANCH  26  29
ENDBRANCH  22  23
BRANCH  22  33
ATOM     32  C   LIG    1       -1.352  -3.177  -0.830  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -2.363  -2.284  -0.120  0.00  0.00    +0.102 C 
ENDBRANCH  22  33
ENDBRANCH   1  22
TORSDOF 7