REMARK  Name = BDB051960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.428  -0.045  -0.777  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        0.188   0.172   0.182  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.631  -0.140  -1.658  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -0.549  -0.214  -2.878  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.942  -0.070  -1.005  0.00  0.00    +0.063 A 
ATOM      6  C   LIG    1       -2.373  -0.547   0.271  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.721  -0.190   0.423  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -4.427  -0.501   1.603  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -3.771  -1.194   2.623  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.448  -1.583   2.479  0.00  0.00    +0.001 A 
ATOM     11  N   LIG    1       -4.138   0.451  -0.750  0.00  0.00    -0.287 N 
ATOM     12  C   LIG    1       -5.433   0.957  -1.017  0.00  0.00    +0.229 C 
ATOM     13  O   LIG    1       -6.323   0.876  -0.179  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1       -5.616   1.584  -2.368  0.00  0.00    +0.113 C 
ATOM     15  C   LIG    1       -1.745  -1.273   1.312  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -3.051   0.495  -1.604  0.00  0.00    +0.108 A 
ENDBRANCH   3   5
BRANCH   1  19
ATOM     17  C   LIG    1        4.082   0.035  -0.210  0.00  0.00    +0.061 A 
ATOM     18  C   LIG    1        2.694   0.096  -0.010  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        1.805  -0.118  -1.070  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        2.320  -0.401  -2.336  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        3.702  -0.462  -2.543  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        4.583  -0.244  -1.485  0.00  0.00    +0.015 A 
BRANCH  17  23
ATOM     23  C   LIG    1        4.967   0.272   0.963  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        4.544   0.500   2.086  0.00  0.00    -0.245 OA
BRANCH  23  26
ATOM     25  C   LIG    1        7.184   0.419   1.683  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        6.273   0.200   0.604  0.00  0.00    -0.464 OA
ENDBRANCH  23  26
ENDBRANCH  17  23
ENDBRANCH   1  19
TORSDOF 4