REMARK  Name = BDB015732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.837   0.960   0.929  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        0.522  -0.020   0.068  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.624   0.129  -0.620  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.427   1.242  -0.468  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.012   2.196   0.437  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.126   2.078   1.128  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.975  -0.960  -1.571  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        0.021  -1.653  -2.158  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.214  -2.683  -3.058  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        0.930  -3.364  -3.641  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.498  -3.079  -3.417  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -1.771  -3.971  -4.214  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.604  -2.340  -2.755  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.341  -1.352  -1.890  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1       -1.728   3.370   0.661  0.00  0.00    -0.327 N 
ATOM     16  H   LIG    1       -1.183   3.884   1.355  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -3.132   3.238   1.060  0.00  0.00    +0.066 C 
ATOM     18  C   LIG    1       -3.248   2.701   2.487  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -3.781   4.619   0.964  0.00  0.00    +0.027 C 
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  20
ATOM     20  O   LIG    1        2.027   0.890   1.643  0.00  0.00    -0.420 OA
BRANCH  20  23
ATOM     21  C   LIG    1        4.493   0.543   0.260  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1        3.850  -0.552   1.059  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1        2.621  -0.348   1.704  0.00  0.00    +0.170 A 
ATOM     24  C   LIG    1        2.042  -1.371   2.459  0.00  0.00    +0.166 A 
ATOM     25  F   LIG    1        0.890  -1.163   3.115  0.00  0.00    -0.202 F 
ATOM     26  C   LIG    1        2.651  -2.618   2.549  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1        3.859  -2.841   1.890  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        4.455  -1.815   1.151  0.00  0.00    +0.007 A 
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5