REMARK  Name = BDB004012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.298   0.851  -0.468  0.00  0.00    +0.127 A 
ATOM      2  C   LIG    1       -1.942  -0.374  -0.751  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -1.220  -1.570  -0.574  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1        0.120  -1.547  -0.153  0.00  0.00    +0.104 A 
ATOM      5  C   LIG    1        0.769  -0.326   0.101  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        0.043   0.866  -0.061  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.545   3.203  -0.123  0.00  0.00    +0.277 C 
ATOM      8  O   LIG    1       -2.051   1.984  -0.649  0.00  0.00    -0.495 OA
ENDBRANCH   1   8
BRANCH   3   9
ATOM      9  O   LIG    1       -1.789  -2.790  -0.836  0.00  0.00    -0.506 OA
ATOM     10  H   LIG    1       -2.752  -2.731  -0.735  0.00  0.00    +0.292 HD
ENDBRANCH   3   9
BRANCH   4  11
ATOM     11  C   LIG    1        0.852  -2.817   0.010  0.00  0.00    +0.341 C 
ATOM     12  O   LIG    1        1.837  -3.170  -0.612  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        0.353  -3.532   1.035  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        0.904  -4.340   1.049  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   4  11
BRANCH   2  15
ATOM     15  C   LIG    1       -3.384  -0.371  -1.224  0.00  0.00    +0.069 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.362  -0.465  -0.080  0.00  0.00    -0.023 C 
ATOM     17  C   LIG    1       -5.304   0.428   0.286  0.00  0.00    -0.079 C 
ATOM     18  C   LIG    1       -5.571   1.743  -0.392  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -6.193   0.159   1.473  0.00  0.00    +0.038 C 
ENDBRANCH  15  16
ENDBRANCH   2  15
BRANCH   5  20
ATOM     20  C   LIG    1        2.220  -0.246   0.523  0.00  0.00    +0.041 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.153  -0.072  -0.680  0.00  0.00    +0.040 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.602  -0.085  -0.260  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1        5.292  -1.301  -0.155  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        6.626  -1.323   0.252  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.280  -0.132   0.563  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.601   1.081   0.467  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.266   1.106   0.060  0.00  0.00    +0.003 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 9