REMARK  Name = BDB012105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.684  -1.097   0.612  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1       -0.071  -0.474  -0.380  0.00  0.00    -0.027 A 
ATOM      3  C   LIG    1        0.307  -0.392  -1.830  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.292   0.116   0.154  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -1.403  -0.142   1.509  0.00  0.00    +0.058 A 
ATOM      6  S   LIG    1       -0.093  -1.022   2.141  0.00  0.00    -0.099 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.297   0.851  -0.630  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1       -3.082   1.722   0.088  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -2.948   1.838   1.083  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -2.418   0.709  -1.844  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -4.180   2.452  -0.501  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.466   1.752  -0.171  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -5.913   1.914   1.253  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -5.236   2.518   2.082  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1       -7.111   1.340   1.592  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -7.393   1.461   2.557  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -7.897   0.617   0.730  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -9.167   0.046   1.279  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1       -7.493   0.455  -0.538  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -6.246   1.039  -1.014  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1       -5.943   0.762  -2.461  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1        2.032  -1.830   0.520  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.058  -0.961  -0.107  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.309   0.294   0.624  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        4.684   0.378   1.286  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1        5.837   0.163   0.287  0.00  0.00    +0.058 C 
ATOM     27  C   LIG    1        5.369  -0.646  -0.938  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1        4.285  -1.641  -0.525  0.00  0.00    +0.086 C 
BRANCH  26  29
ATOM     29  N   LIG    1        6.601   1.359  -0.131  0.00  0.00    -0.305 NA
ATOM     30  C   LIG    1        5.778   2.455  -0.642  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1        7.478   1.846   0.936  0.00  0.00    +0.104 C 
ENDBRANCH  26  29
ENDBRANCH  22  23
BRANCH  22  33
ATOM     32  C   LIG    1        2.643  -4.340   0.289  0.00  0.00    +0.006 C 
ATOM     33  C   LIG    1        1.765  -3.191  -0.192  0.00  0.00    +0.021 C 
ENDBRANCH  22  33
ENDBRANCH   1  22
TORSDOF 7