REMARK  Name = BDB012099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.454  -0.985   0.108  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -0.837  -1.515   0.527  0.00  0.00    -0.027 A 
ATOM      3  C   LIG    1       -1.033  -2.238   1.828  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.837  -1.263  -0.412  0.00  0.00    +0.011 A 
ATOM      5  S   LIG    1       -1.209  -0.453  -1.791  0.00  0.00    -0.099 S 
ATOM      6  C   LIG    1        0.359  -0.401  -1.141  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.310  -1.642  -0.352  0.00  0.00    +0.094 C 
ATOM      8  N   LIG    1       -4.206  -0.589  -0.887  0.00  0.00    -0.292 NA
ATOM      9  C   LIG    1       -5.246  -1.282  -1.660  0.00  0.00    +0.085 C 
ATOM     10  C   LIG    1       -4.495  -2.424  -2.310  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -3.581  -2.898  -1.198  0.00  0.00    +0.025 C 
BRANCH   8  12
ATOM     12  C   LIG    1       -4.762   0.336   0.124  0.00  0.00    +0.062 C 
ATOM     13  C   LIG    1       -5.639   1.412  -0.555  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1       -5.792   2.670   0.292  0.00  0.00    +0.161 C 
ATOM     15  O   LIG    1       -5.685   2.350   1.673  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -4.359   1.952   2.023  0.00  0.00    +0.161 C 
ATOM     17  C   LIG    1       -3.703   1.046   0.980  0.00  0.00    +0.047 C 
ENDBRANCH   8  12
ENDBRANCH   4   7
BRANCH   1  20
ATOM     18  N   LIG    1        2.671  -0.152   0.539  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        2.359   0.680   0.056  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        1.708  -1.080   0.875  0.00  0.00    +0.245 C 
ATOM     21  O   LIG    1        1.875  -1.909   1.764  0.00  0.00    -0.270 OA
BRANCH  18  22
ATOM     22  C   LIG    1        3.864  -0.003   1.341  0.00  0.00    +0.145 C 
BRANCH  22  29
ATOM     23  C   LIG    1        8.021   2.642  -1.745  0.00  0.00    +0.063 C 
ATOM     24  C   LIG    1        6.987   1.872  -0.984  0.00  0.00    +0.016 A 
ATOM     25  N   LIG    1        5.941   2.583  -0.453  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        5.883   3.584  -0.594  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        4.907   2.029   0.257  0.00  0.00    +0.254 A 
ATOM     28  O   LIG    1        3.973   2.712   0.667  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1        4.964   0.549   0.486  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        5.994  -0.147  -0.047  0.00  0.00    -0.039 A 
ATOM     31  C   LIG    1        6.179  -1.636   0.061  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1        7.030   0.543  -0.803  0.00  0.00    +0.024 A 
ENDBRANCH  22  29
ENDBRANCH  18  22
ENDBRANCH   1  20
TORSDOF 5