REMARK  Name = BDB012372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.347   0.540   0.513  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.654   0.324   0.959  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        1.725   0.352   2.325  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.470   0.544   2.724  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.422   0.668   1.652  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.835   0.103   0.173  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        2.745   0.103  -1.186  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        3.865  -0.122  -1.905  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.105  -0.329  -1.338  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.187  -0.304   0.052  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        4.045  -0.105   0.827  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.475  -0.531   0.735  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.602  -1.275   1.690  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        7.481   0.196   0.205  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.202   0.878  -0.434  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.051   0.567  -0.794  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.290   0.899  -1.167  0.00  0.00    +0.266 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -3.661  -0.070  -1.079  0.00  0.00    -0.039 A 
ATOM     19  C   LIG    1       -2.260  -0.272  -1.115  0.00  0.00    -0.007 A 
ATOM     20  C   LIG    1       -1.765  -1.591  -1.166  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -2.626  -2.688  -1.134  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -3.993  -2.476  -1.066  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1       -4.824  -3.525  -1.033  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -4.514  -1.188  -1.040  0.00  0.00    +0.042 A 
BRANCH  18  26
ATOM     25  C   LIG    1       -4.547   1.810   0.342  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.294   1.304  -1.070  0.00  0.00    +0.032 C 
ENDBRANCH  18  26
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7