REMARK  Name = BDB036176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.134   1.972  -1.277  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        1.371   2.762  -1.103  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        2.490   2.069  -0.290  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.802   0.734  -0.837  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1        1.607  -0.117  -1.065  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.507   0.652  -1.837  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.942   0.053  -0.373  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1        4.475  -1.086  -1.019  0.00  0.00    +0.235 A 
ATOM      9  F   LIG    1        3.896  -1.524  -2.150  0.00  0.00    -0.182 F 
ATOM     10  N   LIG    1        5.561  -1.789  -0.624  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1        6.204  -1.340   0.472  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1        5.801  -0.216   1.181  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.668   0.478   0.748  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.411  -2.121   0.897  0.00  0.00    +0.260 C 
ATOM     15  O   LIG    1        8.131  -2.717   0.106  0.00  0.00    -0.269 OA
ATOM     16  N   LIG    1        7.682  -2.173   2.245  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        8.409  -2.832   2.500  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        6.962  -2.002   2.932  0.00  0.00    +0.145 HD
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.622   1.863  -0.017  0.00  0.00    +0.120 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -7.889  -1.489  -0.724  0.00  0.00    +0.069 C 
ATOM     21  C   LIG    1       -6.486  -1.070  -0.396  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -5.737  -1.918   0.597  0.00  0.00    +0.181 C 
ATOM     23  O   LIG    1       -6.220  -2.984   0.962  0.00  0.00    -0.290 OA
ATOM     24  C   LIG    1       -4.456  -1.363   1.136  0.00  0.00    +0.118 C 
ATOM     25  C   LIG    1       -3.870  -0.228   0.337  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1       -4.657   0.366  -0.664  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1       -4.133   1.416  -1.414  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -2.839   1.876  -1.191  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -2.027   1.300  -0.201  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -2.557   0.258   0.601  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -1.718  -0.341   1.705  0.00  0.00    +0.044 C 
ATOM     32  N   LIG    1       -5.968  -0.026  -0.959  0.00  0.00    -0.249 NA
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 4