REMARK  Name = BDB065396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.069  -2.369   0.539  0.00  0.00    +0.103 A 
ATOM      2  N   LIG    1        2.305  -3.465   0.226  0.00  0.00    -0.133 NA
ATOM      3  N   LIG    1        1.100  -3.291   0.750  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1        1.097  -2.100   1.373  0.00  0.00    -0.251 N 
ATOM      5  C   LIG    1        2.310  -1.491   1.285  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        4.476  -2.256   0.073  0.00  0.00    +0.185 C 
BRANCH   6  11
ATOM      7  C   LIG    1        4.592   0.393  -3.132  0.00  0.00    +0.159 A 
ATOM      8  C   LIG    1        4.256  -1.027  -3.384  0.00  0.00    +0.179 A 
ATOM      9  F   LIG    1        3.991  -1.409  -4.645  0.00  0.00    -0.200 F 
ATOM     10  C   LIG    1        4.245  -1.843  -2.337  0.00  0.00    +0.132 A 
ATOM     11  N   LIG    1        4.543  -1.360  -1.079  0.00  0.00    -0.290 N 
ATOM     12  C   LIG    1        4.826  -0.006  -0.859  0.00  0.00    +0.351 A 
ATOM     13  O   LIG    1        5.041   0.420   0.274  0.00  0.00    -0.244 OA
ATOM     14  N   LIG    1        4.863   0.844  -1.944  0.00  0.00    -0.175 NA
BRANCH   7  15
ATOM     15  N   LIG    1        4.636   1.290  -4.168  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1        5.131   2.147  -3.944  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        4.835   0.917  -5.089  0.00  0.00    +0.144 HD
ENDBRANCH   7  15
ENDBRANCH   6  11
ENDBRANCH   1   6
BRANCH   4  18
ATOM     18  C   LIG    1       -0.091  -1.623   2.042  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.222  -1.228   1.091  0.00  0.00    +0.024 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.862  -0.031   0.200  0.00  0.00    +0.006 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.008   0.385  -0.729  0.00  0.00    +0.035 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.153   1.053  -0.007  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1       -3.059   2.399   0.372  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -4.112   3.024   1.046  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -5.271   2.304   1.355  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1       -5.370   0.959   0.980  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -4.319   0.339   0.300  0.00  0.00    +0.004 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -6.412   2.922   2.072  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -7.434   2.354   2.410  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.222   4.229   2.333  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -7.045   4.497   2.794  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 10