REMARK  Name = BDB046514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.102   0.005   0.409  0.00  0.00    +0.095 C 
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1        4.044   1.690   2.581  0.00  0.00    +0.138 C 
ATOM      3  N   LIG    1        3.359   0.973   1.520  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1        4.092   0.194   0.583  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        3.404  -0.669  -0.281  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        4.093  -1.497  -1.170  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        5.484  -1.452  -1.227  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        6.182  -0.590  -0.386  0.00  0.00    +0.002 A 
ATOM      9  O   LIG    1        2.043  -0.808  -0.274  0.00  0.00    -0.478 OA
ATOM     10  C   LIG    1        1.376   0.353   0.203  0.00  0.00    +0.262 C 
ATOM     11  C   LIG    1        5.492   0.224   0.518  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        1.968   0.989   1.473  0.00  0.00    +0.260 C 
ATOM     13  O   LIG    1        1.269   1.550   2.316  0.00  0.00    -0.271 OA
ENDBRANCH   1  10
BRANCH   1  14
ATOM     14  C   LIG    1       -0.749  -0.524  -0.869  0.00  0.00    +0.233 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -2.132  -0.807  -0.653  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -3.062   0.165  -0.909  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -4.404  -0.258  -0.865  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -5.432   0.670  -1.099  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -5.132   2.001  -1.379  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.805   2.417  -1.418  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -2.774   1.505  -1.181  0.00  0.00    +0.046 A 
BRANCH  17  22
ATOM     22  C   LIG    1       -4.754  -1.695  -0.546  0.00  0.00    +0.159 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.595  -2.042   0.913  0.00  0.00    +0.309 C 
ATOM     24  O   LIG    1       -4.613  -1.292   1.875  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.490  -3.376   1.108  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -4.395  -3.452   2.081  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 7