REMARK  Name = BDB015778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.909   2.493   0.270  0.00  0.00    +0.320 A 
ATOM      2  N   LIG    1        2.110   1.913   0.196  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1        2.122   0.570   0.163  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.960  -0.176   0.217  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.236   0.513   0.276  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -0.268   1.851   0.308  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.467  -0.058   0.115  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        3.685  -1.154  -0.638  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        4.928  -1.766  -0.717  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        5.069  -2.948  -1.553  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        6.043  -1.283  -0.035  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        7.162  -1.787  -0.062  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        5.820  -0.057   0.773  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        4.606   0.505   0.827  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  C   LIG    1       -0.345   4.454   0.458  0.00  0.00    +0.280 C 
ATOM     16  O   LIG    1        0.941   3.870   0.302  0.00  0.00    -0.466 OA
ENDBRANCH   1  16
BRANCH   5  17
ATOM     17  N   LIG    1       -1.421  -0.237   0.357  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1       -1.431  -0.922  -0.394  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.681   0.518   0.384  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1       -2.979   1.028   1.798  0.00  0.00    +0.033 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -3.797  -0.401  -0.102  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1       -4.545  -0.056  -1.240  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -5.564  -0.892  -1.701  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.847  -2.083  -1.035  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.111  -2.441   0.092  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.092  -1.607   0.555  0.00  0.00    +0.005 A 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 5