REMARK  Name = BDB063934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.202  -0.847   0.530  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.543  -2.154   0.550  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.422  -2.552   0.826  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.558  -2.899   0.278  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.661  -4.108   0.236  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.599  -1.859   0.056  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.854  -2.176  -0.283  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.042  -0.612   0.242  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.960  -1.239  -0.540  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.111  -0.043   0.179  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.212   0.786  -0.102  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.166   0.449  -1.063  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.196   1.362  -1.228  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.019   2.370  -0.406  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.015  -0.761  -1.766  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.641   2.299   0.606  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.920  -1.593  -1.494  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.102   0.134   0.802  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.673   1.052   0.677  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.496   0.120   0.337  0.00  0.00    +0.104 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.544   0.561  -1.130  0.00  0.00    +0.235 C 
ATOM     22  F   LIG    1       -2.219   1.880  -1.219  0.00  0.00    -0.247 F 
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.300   1.026   1.293  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.267   2.133   0.074  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -4.832   1.111   1.125  0.00  0.00    -0.015 C 
ATOM     26  C   LIG    1       -5.493  -0.243   0.882  0.00  0.00    +0.007 C 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6