REMARK  Name = BDB051297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.260   0.365  -0.572  0.00  0.00    +0.015 A 
ATOM      2  C   LIG    1       -0.360  -1.059  -0.610  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.821  -1.570  -0.056  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.050  -2.950   0.068  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.059  -3.827  -0.382  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -1.117  -3.339  -0.941  0.00  0.00    +0.019 A 
ATOM      7 BR   LIG    1       -2.438  -4.553  -1.545  0.00  0.00    -0.050 Br
ATOM      8  N   LIG    1        1.607  -0.486   0.282  0.00  0.00    -0.346 N 
ATOM      9  C   LIG    1       -1.342  -1.966  -1.067  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        0.962   0.684  -0.023  0.00  0.00    +0.095 A 
ENDROOT
BRANCH   1  13
ATOM     11  O   LIG    1        0.244   2.547  -2.528  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -0.862   2.308  -2.081  0.00  0.00    +0.253 C 
ATOM     13  C   LIG    1       -1.207   1.322  -1.028  0.00  0.00    +0.075 C 
ATOM     14  C   LIG    1       -2.508   1.491  -0.715  0.00  0.00    +0.122 C 
ATOM     15  C   LIG    1       -2.979   2.615  -1.560  0.00  0.00    +0.268 C 
ATOM     16  O   LIG    1       -4.021   3.231  -1.441  0.00  0.00    -0.268 OA
ATOM     17  N   LIG    1       -2.004   2.925  -2.433  0.00  0.00    -0.247 N 
ATOM     18  H   LIG    1       -2.029   3.736  -3.029  0.00  0.00    +0.158 HD
BRANCH  14  19
ATOM     19  N   LIG    1       -3.279   0.824   0.248  0.00  0.00    -0.309 N 
ATOM     20  C   LIG    1       -4.662   0.592   0.238  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -4.993  -0.080   1.418  0.00  0.00    +0.089 A 
ATOM     22  N   LIG    1       -6.250  -0.464   1.745  0.00  0.00    -0.253 NA
ATOM     23  C   LIG    1       -7.194  -0.171   0.832  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -6.965   0.459  -0.378  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1       -3.815  -0.288   2.150  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -5.669   0.849  -0.705  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1       -2.787   0.252   1.418  0.00  0.00    +0.094 A 
ENDBRANCH  14  19
ENDBRANCH   1  13
BRANCH   8  28
ATOM     28  C   LIG    1        2.941  -0.548   0.864  0.00  0.00    +0.123 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.021  -0.632  -0.214  0.00  0.00    +0.043 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.423  -0.798   0.368  0.00  0.00    +0.124 C 
BRANCH  30  31
ATOM     31  N   LIG    1        5.850   0.323   1.179  0.00  0.00    -0.337 N 
ATOM     32  C   LIG    1        6.007   0.318   2.535  0.00  0.00    +0.199 A 
ATOM     33  N   LIG    1        6.386   1.496   2.976  0.00  0.00    -0.244 NA
ATOM     34  C   LIG    1        6.500   2.282   1.858  0.00  0.00    +0.130 A 
ATOM     35  C   LIG    1        6.176   1.570   0.727  0.00  0.00    +0.106 A 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 6