REMARK  Name = BDB012108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.441  -0.211  -0.503  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.381  -0.087   0.395  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -1.403   0.798   1.605  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -0.271  -0.959   0.047  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -0.588  -1.758  -1.033  0.00  0.00    +0.060 A 
ATOM      6  S   LIG    1       -2.110  -1.405  -1.692  0.00  0.00    -0.081 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.033  -1.086   0.701  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        1.588   0.112   1.089  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.123   0.970   0.837  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.602  -2.165   0.824  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.887   0.191   1.715  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.053   0.233   0.755  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.359   0.004   1.488  0.00  0.00    +0.256 A 
ATOM     14  O   LIG    1        5.354  -0.065   2.718  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1        6.521  -0.097   0.722  0.00  0.00    -0.315 N 
ATOM     16  C   LIG    1        7.773  -0.357   1.424  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1        6.514   0.065  -0.659  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1        7.799  -0.052  -1.434  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        5.359   0.327  -1.288  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        4.095   0.432  -0.581  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        2.929   0.772  -1.467  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  N   LIG    1       -3.617   0.495  -0.525  0.00  0.00    -0.321 N 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.896  -0.131  -0.110  0.00  0.00    +0.078 C 
ATOM     24  C   LIG    1       -4.764  -1.098   1.072  0.00  0.00    +0.050 C 
ATOM     25  C   LIG    1       -6.131  -1.673   1.417  0.00  0.00    +0.161 C 
ATOM     26  O   LIG    1       -6.724  -2.304   0.283  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1       -6.927  -1.402  -0.805  0.00  0.00    +0.161 C 
ATOM     28  C   LIG    1       -5.605  -0.817  -1.281  0.00  0.00    +0.050 C 
ENDBRANCH  22  23
BRANCH  22  30
ATOM     29  C   LIG    1       -4.372   2.548  -1.655  0.00  0.00    +0.024 C 
ATOM     30  C   LIG    1       -3.555   1.961  -0.513  0.00  0.00    +0.102 C 
ENDBRANCH  22  30
ENDBRANCH   1  22
TORSDOF 6