REMARK  Name = BDB047964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.491  -2.422   0.710  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.604  -1.287   0.562  0.00  0.00    -0.313 N 
ATOM      3  C   LIG    1       -2.999   0.006   0.250  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1       -1.819   0.717  -0.059  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.948   2.076  -0.425  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -3.198   2.692  -0.502  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.343   1.978  -0.195  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.718  -0.175   0.134  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1       -4.267   0.636   0.193  0.00  0.00    +0.042 A 
ATOM     10 BR   LIG    1       -5.905  -0.195   0.667  0.00  0.00    -0.048 Br
ATOM     11  C   LIG    1       -1.230  -1.362   0.630  0.00  0.00    +0.203 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        0.838  -0.011  -0.073  0.00  0.00    +0.082 A 
ATOM     13  C   LIG    1        1.627   0.969  -0.638  0.00  0.00    +0.140 A 
ATOM     14  C   LIG    1        3.001   0.572  -0.535  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        3.011  -0.672   0.094  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        4.187  -1.382   0.365  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        5.397  -0.802  -0.023  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        5.427   0.434  -0.661  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.240   1.128  -0.926  0.00  0.00    +0.012 A 
ATOM     20  N   LIG    1        1.703  -1.003   0.339  0.00  0.00    -0.352 N 
ATOM     21  H   LIG    1        1.386  -1.861   0.773  0.00  0.00    +0.166 HD
BRANCH  13  22
ATOM     22  N   LIG    1        1.157   2.177  -1.318  0.00  0.00    -0.028 NA
ATOM     23  O   LIG    1        1.902   3.159  -1.227  0.00  0.00    -0.143 OA
ENDBRANCH  13  22
ENDBRANCH   8  12
BRANCH  11  24
ATOM     24  O   LIG    1       -0.576  -2.446   1.057  0.00  0.00    -0.493 OA
ATOM     25  H   LIG    1       -1.167  -2.984   1.610  0.00  0.00    +0.294 HD
ENDBRANCH  11  24
TORSDOF 3