REMARK  Name = BDB033030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.849  -1.821  -1.731  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.548  -1.526  -2.481  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.506  -1.844  -1.549  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.049  -2.404  -0.373  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        0.737  -2.761   0.571  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -1.453  -2.497  -0.420  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.653   0.538  -0.986  0.00  0.00    +0.218 C 
ATOM      8  N   LIG    1       -2.762  -0.685  -1.576  0.00  0.00    -0.310 N 
ATOM      9  H   LIG    1       -3.695  -0.805  -1.959  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -3.644   1.271  -1.037  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -1.368   0.993  -0.320  0.00  0.00    +0.131 C 
BRANCH  11  14
ATOM     12  C   LIG    1       -0.840   0.560   3.437  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -0.750   0.377   2.056  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1       -1.484   1.188   1.173  0.00  0.00    -0.035 A 
ATOM     15  C   LIG    1       -2.303   2.198   1.700  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -2.389   2.390   3.078  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -1.657   1.574   3.941  0.00  0.00    +0.045 A 
BRANCH  12  19
ATOM     18  C   LIG    1        0.575  -1.287   3.925  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -0.181  -0.174   4.386  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH  11  14
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        1.909  -1.584  -1.829  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.305  -0.184  -1.423  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.377   0.901  -2.312  0.00  0.00    +0.131 A 
ATOM     23  C   LIG    1        2.662   2.205  -1.883  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        2.892   2.440  -0.529  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        2.841   1.381   0.377  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        2.554   0.085  -0.064  0.00  0.00    +0.007 A 
BRANCH  22  27
ATOM     27  N   LIG    1        2.134   0.711  -3.727  0.00  0.00    +0.057 N 
ATOM     28  O   LIG    1        2.966   0.050  -4.360  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1        1.105   1.216  -4.192  0.00  0.00    -0.126 OA
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7