REMARK  Name = BDB039619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.260  -0.561  -0.178  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.802  -1.961  -0.122  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.545  -2.182  -0.996  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.603  -1.297  -0.711  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.151   0.010  -0.176  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.267   0.430  -0.630  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.317   0.388   0.076  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.519   1.239  -0.611  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.209   0.900  -0.678  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.447   1.750  -1.389  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.614  -0.247  -0.106  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.504  -1.075   0.596  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.862  -0.766   0.691  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.412   2.489  -0.464  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.100   1.908  -0.525  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.325   2.429  -0.930  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.767   0.757   0.158  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.563   0.078   0.795  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.574  -1.941   0.190  0.00  0.00    +0.120 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.877  -1.165   0.317  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1       -3.397  -0.741   1.562  0.00  0.00    -0.045 A 
ATOM     22  C   LIG    1       -2.687  -1.020   2.859  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -4.615  -0.035   1.601  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1       -5.315   0.244   0.426  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -4.800  -0.184  -0.814  0.00  0.00    +0.050 A 
ATOM     26  N   LIG    1       -5.490   0.087  -2.019  0.00  0.00    -0.319 N 
ATOM     27  H   LIG    1       -5.114  -0.220  -2.905  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1       -6.694   0.775  -2.080  0.00  0.00    +0.292 A 
ATOM     29  C   LIG    1       -7.180   1.192  -0.789  0.00  0.00    +0.199 A 
ATOM     30  O   LIG    1       -8.342   1.880  -0.622  0.00  0.00    -0.457 OA
ATOM     31  C   LIG    1       -8.468   2.095   0.717  0.00  0.00    +0.196 A 
ATOM     32  C   LIG    1       -7.403   1.553   1.406  0.00  0.00    +0.050 A 
ATOM     33  O   LIG    1       -7.242   0.979  -3.160  0.00  0.00    -0.264 OA
ATOM     34  C   LIG    1       -6.569   0.968   0.427  0.00  0.00    +0.035 A 
ATOM     35  C   LIG    1       -3.597  -0.884  -0.863  0.00  0.00    +0.031 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4