REMARK  Name = BDB016950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.641  -4.138   0.523  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        1.626  -3.097   0.692  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        1.425  -1.743   0.525  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        2.668  -1.179   0.797  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        3.586  -2.168   1.119  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        2.927  -3.299   1.046  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.142  -1.168   0.142  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.172  -0.967  -1.200  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -1.422  -0.445  -1.563  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -2.394  -0.102  -0.611  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -2.048  -0.313   0.734  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -0.802  -0.834   1.111  0.00  0.00    +0.012 A 
BRANCH  10  13
ATOM     13  N   LIG    1       -3.621   0.403  -0.973  0.00  0.00    -0.330 N 
ATOM     14  C   LIG    1       -4.588   0.961  -0.029  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1       -5.572   1.723  -0.914  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -5.539   0.946  -2.218  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1       -4.066   0.571  -2.354  0.00  0.00    +0.105 C 
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   4  18
ATOM     18  C   LIG    1        3.030   0.238   0.770  0.00  0.00    +0.092 A 
ATOM     19  N   LIG    1        2.066   1.136   0.450  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1        2.395   2.443   0.424  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1        3.660   2.916   0.706  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        4.644   1.985   1.034  0.00  0.00    +0.062 A 
ATOM     23  C   LIG    1        4.330   0.626   1.068  0.00  0.00    +0.045 A 
BRANCH  22  24
ATOM     24  C   LIG    1        6.003   2.486   1.338  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1        6.346   3.654   1.327  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        6.868   1.504   1.640  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        7.712   1.970   1.815  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   4  18
TORSDOF 5