REMARK  Name = BDB039624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.144   0.397  -0.666  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.853  -0.263  -1.960  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.500   0.235  -2.521  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.626   0.013  -1.583  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.307   0.650  -0.287  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.044   0.178   0.307  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.960  -0.060   0.996  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.620  -0.901  -0.002  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.383  -0.748  -0.529  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.080  -1.605  -1.518  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.429   0.205  -0.117  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.850   1.058   0.916  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.117   0.930   1.485  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.404   0.874   2.259  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.027   0.935   1.834  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.713   1.787   1.388  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.330  -0.236   1.576  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.789  -1.352   1.790  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.875   0.523  -2.169  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.109   0.058  -1.433  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.597  -1.242  -1.622  0.00  0.00    +0.129 A 
ATOM     22  F   LIG    1       -2.985  -2.067  -2.483  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.723  -1.706  -0.946  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -5.384  -0.860  -0.058  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1       -4.910   0.448   0.141  0.00  0.00    +0.053 A 
ATOM     26  N   LIG    1       -5.577   1.306   1.036  0.00  0.00    -0.306 N 
ATOM     27  H   LIG    1       -5.237   2.248   1.178  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1       -6.701   0.978   1.775  0.00  0.00    +0.348 A 
ATOM     29  N   LIG    1       -7.149  -0.344   1.550  0.00  0.00    -0.181 N 
ATOM     30  N   LIG    1       -8.239  -0.863   2.178  0.00  0.00    -0.170 NA
ATOM     31  C   LIG    1       -8.326  -2.107   1.706  0.00  0.00    +0.135 A 
ATOM     32  C   LIG    1       -7.313  -2.410   0.780  0.00  0.00    +0.050 A 
ATOM     33  O   LIG    1       -7.265   1.741   2.549  0.00  0.00    -0.245 OA
ATOM     34  C   LIG    1       -6.562  -1.259   0.691  0.00  0.00    +0.081 A 
ATOM     35  C   LIG    1       -3.781   0.908  -0.540  0.00  0.00    +0.034 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4