REMARK  Name = BDB012399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.120  -0.154   0.211  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1       -1.328  -0.375   0.841  0.00  0.00    +0.119 A 
ATOM      3  N   LIG    1       -2.329  -0.185  -0.096  0.00  0.00    -0.222 N 
ATOM      4  N   LIG    1       -1.803   0.152  -1.302  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1       -0.485   0.169  -1.109  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.750  -0.295   0.088  0.00  0.00    +0.155 A 
ATOM      7  N   LIG    1       -4.556  -0.100  -0.992  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1       -5.891  -0.232  -0.843  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1       -6.492  -0.530   0.359  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -5.663  -0.691   1.464  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -4.273  -0.593   1.341  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -6.284  -1.008   2.765  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -7.157  -1.844   2.898  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -5.799  -0.250   3.770  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -5.256   0.511   3.490  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1        1.255  -0.227   0.792  0.00  0.00    +0.053 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.111  -1.375   0.223  0.00  0.00    +0.089 C 
BRANCH  17  19
ATOM     18  C   LIG    1        2.448  -2.469  -1.902  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1        2.503  -1.186  -1.192  0.00  0.00    -0.301 NA
BRANCH  19  20
ATOM     20  C   LIG    1        3.857  -0.615  -1.336  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.954   0.839  -0.926  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1        3.262   1.825  -1.650  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        3.345   3.166  -1.276  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        4.125   3.524  -0.183  0.00  0.00    +0.123 A 
ATOM     25  F   LIG    1        4.205   4.811   0.178  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        4.823   2.566   0.543  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        4.739   1.223   0.173  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8