REMARK  Name = BDB004650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.360  -1.103   0.129  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.128  -0.813   0.696  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        0.081  -1.773   0.727  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        0.284  -3.062   0.199  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1       -0.698  -3.988   0.258  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -1.850  -3.644   0.842  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1       -2.142  -2.453   1.358  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        1.540  -3.336  -0.380  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -1.191  -1.511   1.283  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        2.557  -2.364  -0.413  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.891  -4.657  -0.991  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        2.995  -4.864  -1.484  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        0.952  -5.644  -0.995  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        1.188  -6.543  -1.391  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        0.039  -5.499  -0.574  0.00  0.00    +0.145 HD
ENDBRANCH   8  11
BRANCH   9  16
ATOM     16  N   LIG    1       -1.462  -0.232   1.812  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -1.250   0.465   1.103  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.793  -0.002   2.369  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.694   0.648   1.342  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -3.706   2.042   1.186  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -4.520   2.641   0.221  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -5.339   1.859  -0.607  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1       -5.313   0.465  -0.461  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -4.500  -0.134   0.504  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -6.200   2.505  -1.664  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1       -5.533   2.681  -2.838  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -7.312   1.780  -1.970  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -6.651   3.740  -1.303  0.00  0.00    -0.166 F 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   9  16
BRANCH   1  29
ATOM     29  O   LIG    1        3.432  -0.264   0.043  0.00  0.00    -0.492 OA
BRANCH  29  30
ATOM     30  C   LIG    1        3.298   1.042   0.601  0.00  0.00    +0.231 C 
BRANCH  30  31
ATOM     31  C   LIG    1        4.607   1.801   0.417  0.00  0.00    +0.069 C 
BRANCH  31  32
ATOM     32  C   LIG    1        4.979   1.965  -1.055  0.00  0.00    +0.163 C 
BRANCH  32  34
ATOM     33  C   LIG    1        5.995   4.112  -1.192  0.00  0.00    +0.193 C 
ATOM     34  O   LIG    1        6.193   2.705  -1.191  0.00  0.00    -0.383 OA
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 10