REMARK  Name = BDB036191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.166  -0.985   0.348  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.131   0.062   0.515  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.280  -0.571   0.536  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.563  -1.364  -0.685  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.486  -2.400  -0.829  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.917  -1.811  -0.859  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.184   0.046   0.896  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -5.303   1.067   0.754  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -4.007   0.715   0.577  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1       -3.161   1.748   0.431  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1       -3.513  -0.605   0.514  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1       -4.481  -1.609   0.680  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.825  -1.292   0.868  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -9.159   2.356   1.207  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -7.839   1.791   1.147  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.034   2.384   0.961  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.619   0.431   1.091  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.501  -0.416   1.179  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.892  -1.997  -0.616  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.028  -1.010  -0.748  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.061  -0.980   0.192  0.00  0.00    +0.133 A 
ATOM     22  F   LIG    1        4.027  -1.823   1.236  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        5.137  -0.091   0.080  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        6.206  -0.080   1.128  0.00  0.00    +0.121 C 
ATOM     25  C   LIG    1        7.412   0.721   0.743  0.00  0.00    +0.181 C 
ATOM     26  C   LIG    1        7.244   1.717  -0.382  0.00  0.00    +0.081 C 
ATOM     27  N   LIG    1        6.210   1.732  -1.166  0.00  0.00    -0.249 NA
ATOM     28  C   LIG    1        8.350   2.713  -0.573  0.00  0.00    +0.069 C 
ATOM     29  O   LIG    1        8.489   0.647   1.321  0.00  0.00    -0.290 OA
ATOM     30  C   LIG    1        5.182   0.799  -0.993  0.00  0.00    +0.071 A 
ATOM     31  C   LIG    1        4.157   0.775  -1.943  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        3.092  -0.123  -1.830  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4