REMARK  Name = BDB003012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.586   0.716  -0.112  0.00  0.00    +0.122 C 
ATOM      2  C   LIG    1       -1.863  -0.114   0.006  0.00  0.00    +0.119 C 
ATOM      3  C   LIG    1       -1.597  -1.402  -0.768  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.487  -2.428  -0.041  0.00  0.00    +0.145 C 
ATOM      5  C   LIG    1       -3.241  -1.515   0.934  0.00  0.00    +0.157 C 
ATOM      6  C   LIG    1       -4.082  -0.479   0.230  0.00  0.00    +0.004 C 
ATOM      7  C   LIG    1       -0.117  -1.582  -0.557  0.00  0.00    +0.227 C 
ATOM      8  O   LIG    1        0.442  -2.656  -0.721  0.00  0.00    -0.275 OA
ATOM      9  O   LIG    1       -2.134  -0.659   1.332  0.00  0.00    -0.359 OA
ATOM     10  C   LIG    1       -3.231   0.392  -0.334  0.00  0.00    +0.008 C 
ATOM     11  N   LIG    1        0.448  -0.317  -0.283  0.00  0.00    -0.265 N 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        1.840  -0.033  -0.400  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        2.807  -1.028  -0.198  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1        4.178  -0.758  -0.310  0.00  0.00    +0.122 A 
ATOM     15  C   LIG    1        4.599   0.528  -0.639  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        3.655   1.530  -0.853  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        2.290   1.251  -0.736  0.00  0.00    +0.024 A 
BRANCH  14  18
ATOM     18  O   LIG    1        4.994  -1.829  -0.068  0.00  0.00    -0.495 OA
ATOM     19  C   LIG    1        6.393  -1.621  -0.204  0.00  0.00    +0.277 C 
ENDBRANCH  14  18
ENDBRANCH  11  12
BRANCH   4  20
ATOM     20  C   LIG    1       -3.416  -3.166  -0.953  0.00  0.00    +0.311 C 
ATOM     21  O   LIG    1       -3.405  -3.171  -2.171  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -4.313  -3.914  -0.280  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1       -4.809  -4.383  -0.984  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH   4  20
BRANCH   1  24
ATOM     24  C   LIG    1       -0.377   1.627   1.121  0.00  0.00    +0.056 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -2.309   2.822   2.154  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -1.354   2.783   1.210  0.00  0.00    -0.078 C 
ATOM     27  C   LIG    1       -1.175   3.902   0.225  0.00  0.00    +0.038 C 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 6