REMARK  Name = BDB063706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.852   1.363  -0.835  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -2.044   1.530   0.144  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.532   1.295  -1.247  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1       -0.264   0.967  -2.402  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -5.193  -2.400  -0.529  0.00  0.00    -0.010 C 
ATOM      6  C   LIG    1       -3.786  -2.946  -0.782  0.00  0.00    +0.108 C 
ATOM      7  S   LIG    1       -2.459  -1.705  -0.689  0.00  0.00    -0.131 S 
ATOM      8  C   LIG    1       -3.341  -0.570  -1.775  0.00  0.00    +0.169 C 
ATOM      9  N   LIG    1       -4.560  -0.188  -1.083  0.00  0.00    -0.249 N 
ATOM     10  C   LIG    1       -4.397   1.141  -1.210  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -5.159   2.044  -0.961  0.00  0.00    -0.273 OA
ATOM     12  CA  LIG    1       -2.947   0.939  -1.749  0.00  0.00    +0.191 C 
ATOM     13  CA  LIG    1       -5.489  -1.067  -0.596  0.00  0.00    +0.126 C 
BRANCH   5  15
ATOM     14  C   LIG    1       -6.008  -4.764  -0.177  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -6.192  -3.436  -0.216  0.00  0.00    -0.001 C 
ENDBRANCH   5  15
BRANCH  13  16
ATOM     16  C   LIG    1       -6.810  -0.533  -0.082  0.00  0.00    +0.352 C 
ATOM     17  O   LIG    1       -7.447  -1.044   0.827  0.00  0.00    -0.244 OA
BRANCH  16  18
ATOM     18  OXT LIG    1       -7.294   0.541  -0.738  0.00  0.00    -0.476 OA
ATOM     19  HXT LIG    1       -6.615   1.175  -1.052  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1        0.459   1.626  -0.241  0.00  0.00    +0.190 A 
ATOM     21  O   LIG    1        1.780   1.528  -0.594  0.00  0.00    -0.454 OA
ATOM     22  C   LIG    1        2.529   1.876   0.489  0.00  0.00    +0.123 A 
ATOM     23  C   LIG    1        1.706   2.206   1.543  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        0.377   2.046   1.077  0.00  0.00    +0.055 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.012   1.834   0.323  0.00  0.00    +0.176 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.697   1.176   1.437  0.00  0.00    -0.336 N 
ATOM     27  H   LIG    1        4.208   0.324   1.717  0.00  0.00    +0.147 HD
BRANCH  26  28
ATOM     28  C   LIG    1        6.076   0.918   1.325  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        6.649  -0.189   1.993  0.00  0.00    +0.063 A 
ATOM     30 CL   LIG    1        5.645  -1.308   2.855  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        8.024  -0.434   1.963  0.00  0.00    +0.037 A 
ATOM     32  C   LIG    1        8.857   0.444   1.281  0.00  0.00    +0.019 A 
ATOM     33 BR   LIG    1       10.720   0.128   1.233  0.00  0.00    -0.050 Br
ATOM     34  C   LIG    1        8.329   1.563   0.643  0.00  0.00    +0.017 A 
ATOM     35  C   LIG    1        6.950   1.802   0.677  0.00  0.00    +0.025 A 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   3  20
TORSDOF 8