REMARK  Name = BDB004046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.449  -1.269   0.391  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.774  -0.778   0.133  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.794  -1.635  -0.042  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.600  -2.999   0.024  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.322  -3.420   0.286  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.707  -2.580   0.475  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.437  -0.309   0.572  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1       -1.022   0.618   0.495  0.00  0.00    +0.155 HD
BRANCH   7  10
ATOM      9  C   LIG    1       -3.538   0.883   1.018  0.00  0.00    +0.080 A 
ATOM     10  C   LIG    1       -2.814  -0.324   0.842  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -3.532  -1.526   0.952  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -4.904  -1.547   1.224  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.600  -0.359   1.395  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.920   0.852   1.293  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1       -3.536   3.294   1.110  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1       -2.938   2.246   0.938  0.00  0.00    +0.339 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.623   2.264   0.647  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -1.406   3.222   0.645  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        3.098  -1.170  -0.327  0.00  0.00    -0.297 N 
ATOM     20  H   LIG    1        3.781  -1.632   0.268  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.514   0.151  -0.618  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1        4.832   0.533  -0.317  0.00  0.00    +0.144 A 
ATOM     23  F   LIG    1        5.643  -0.346   0.295  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1        5.324   1.799  -0.625  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        4.498   2.716  -1.268  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        3.193   2.354  -1.603  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        2.709   1.078  -1.288  0.00  0.00    +0.026 A 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6