REMARK  Name = BDB030064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.198   2.242   2.564  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.208   2.437   1.634  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.964   3.021   1.995  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.112   2.946   3.564  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.418   0.144   0.818  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.475   1.149   1.074  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -0.813   1.204   2.306  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -1.120   0.287   3.308  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.487   0.335   4.490  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -2.068  -0.704   3.066  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -2.456  -1.861   4.283  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -2.712  -0.783   1.827  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -5.430  -0.831  -3.003  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -4.358  -0.344  -2.172  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -4.184  -0.600  -0.841  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -3.038   0.084  -0.493  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -2.521   0.740  -1.589  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -3.338   0.463  -2.581  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.673   1.308   0.699  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        0.919   0.905   0.132  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.544   0.041   1.459  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        3.292   0.600   2.562  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        1.607  -1.049   1.627  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.693  -0.388   0.177  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1        4.838   0.396  -0.004  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        5.753   0.054  -1.002  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        5.523  -1.066  -1.802  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        6.652  -1.483  -3.031  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        4.385  -1.853  -1.612  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        3.465  -1.517  -0.616  0.00  0.00    +0.030 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5