REMARK  Name = BDB037912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.046  -1.677  -0.566  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -2.240  -1.048  -0.869  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -3.549  -1.441  -0.341  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1       -3.644  -0.022   0.250  0.00  0.00    +0.087 C 
ATOM      5  C   LIG    1       -5.012   0.711   0.138  0.00  0.00    +0.229 C 
ATOM      6  O   LIG    1       -5.700   0.914  -0.853  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1       -5.346   1.143   1.383  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -6.185   1.671   1.569  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -4.417   0.879   2.345  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1       -4.493   1.230   3.510  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.275   0.101   1.733  0.00  0.00    +0.115 C 
ATOM     12  C   LIG    1       -2.542   0.381  -0.752  0.00  0.00    +0.126 C 
ATOM     13  O   LIG    1       -0.991  -2.726   0.067  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1        2.560  -0.590  -0.688  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        1.371  -1.198  -0.274  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        0.208  -1.027  -1.032  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        0.253  -0.289  -2.224  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        1.450   0.295  -2.646  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.606   0.144  -1.879  0.00  0.00    +0.013 A 
BRANCH  14  22
ATOM     20  C   LIG    1        3.999   1.670   0.605  0.00  0.00    +0.132 C 
ATOM     21  N   LIG    1        4.523   0.313   0.523  0.00  0.00    -0.304 N 
ATOM     22  C   LIG    1        3.788  -0.797   0.112  0.00  0.00    +0.246 C 
ATOM     23  O   LIG    1        4.111  -1.956   0.359  0.00  0.00    -0.270 OA
ATOM     24  C   LIG    1        5.795   0.081   1.185  0.00  0.00    +0.132 C 
ENDBRANCH  14  22
ENDBRANCH   1  16
TORSDOF 2