REMARK  Name = BDB052467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.462  -2.167   0.403  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1        2.600  -1.356   0.433  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1        3.853  -1.797   0.814  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1        4.775  -0.792   0.748  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1        4.120   0.280   0.329  0.00  0.00    +0.141 A 
ATOM      6  N   LIG    1        4.105  -3.065   1.199  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        3.016  -3.867   1.176  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1        2.795  -0.035   0.128  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1        2.069   0.586  -0.194  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        1.722  -3.492   0.803  0.00  0.00    +0.059 A 
ATOM     11 BR   LIG    1        0.384  -4.839   0.865  0.00  0.00    -0.047 Br
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1       -2.617  -1.178  -0.646  0.00  0.00    -0.291 NA
ATOM     13  C   LIG    1       -1.827  -2.298  -1.213  0.00  0.00    +0.104 C 
ATOM     14  C   LIG    1       -0.295  -2.084  -1.279  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1        0.257  -1.608   0.006  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1       -0.727  -1.396   1.082  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -1.915  -0.576   0.527  0.00  0.00    +0.104 C 
BRANCH  12  18
ATOM     18  C   LIG    1       -2.863  -0.143  -1.687  0.00  0.00    +0.181 C 
BRANCH  18  20
ATOM     19  O   LIG    1       -3.854   2.046  -1.588  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1       -3.918   0.874  -1.230  0.00  0.00    +0.233 C 
ATOM     21  N   LIG    1       -4.894   0.283  -0.460  0.00  0.00    -0.264 N 
ATOM     22  H   LIG    1       -4.764  -0.686  -0.201  0.00  0.00    +0.157 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -5.952   0.962   0.063  0.00  0.00    +0.164 A 
ATOM     24  S   LIG    1       -6.966   0.008   1.055  0.00  0.00    -0.061 S 
ATOM     25  C   LIG    1       -7.962   1.381   1.320  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -7.447   2.460   0.633  0.00  0.00    +0.120 A 
ATOM     27  N   LIG    1       -6.295   2.214  -0.086  0.00  0.00    -0.233 NA
ENDBRANCH  21  23
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  28
ATOM     28  C   LIG    1        4.704   1.609   0.104  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        6.078   1.795   0.324  0.00  0.00    +0.011 A 
ATOM     30  C   LIG    1        6.678   3.041   0.124  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.911   4.122  -0.299  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.546   3.958  -0.521  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        3.945   2.710  -0.321  0.00  0.00    +0.011 A 
ENDBRANCH   5  28
TORSDOF 5