REMARK  Name = BDB063662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.333  -1.316  -0.247  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1       -0.026  -1.326   0.196  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.004  -0.633  -0.396  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1        0.594   0.117  -1.540  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.688   0.139  -1.992  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.667  -0.578  -1.349  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.296  -0.502  -0.062  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        2.257  -1.669   0.624  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1        3.604  -0.369   0.277  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1        4.442   0.697  -0.250  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        3.969   1.358  -0.899  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        4.220  -1.155   1.084  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1        5.798   0.851   0.074  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1        6.651  -0.183   0.254  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        7.996   0.032   0.548  0.00  0.00    +0.020 A 
ATOM     16 BR   LIG    1        9.222  -1.417   0.798  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        8.478   1.317   0.661  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        7.591   2.361   0.473  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        6.264   2.178   0.182  0.00  0.00    +0.023 A 
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.300  -2.131   0.539  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.683  -1.819   0.242  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1       -4.214  -2.572  -0.218  0.00  0.00    +0.146 HD
BRANCH  21  24
ATOM     23  C   LIG    1       -5.516  -0.207   0.234  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1       -4.239  -0.590   0.575  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -3.474   0.302   1.326  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1       -3.950   1.531   1.728  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.225   1.912   1.387  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.999   1.050   0.647  0.00  0.00    +0.015 A 
BRANCH  23  32
ATOM     29  N   LIG    1       -7.756  -0.496  -0.825  0.00  0.00    -0.325 N 
ATOM     30  H   LIG    1       -8.015  -0.110  -1.738  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1       -8.460  -0.541  -0.066  0.00  0.00    +0.145 HD
ATOM     32  C   LIG    1       -6.441  -0.988  -0.552  0.00  0.00    +0.243 C 
ATOM     33  O   LIG    1       -6.133  -2.106  -1.015  0.00  0.00    -0.270 OA
ENDBRANCH  23  32
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6