REMARK  Name = BDB057032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.562   1.132   1.605  0.00  0.00    -0.290 N 
ATOM      2  H   LIG    1       -0.848   1.180   2.582  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.479   0.453   0.823  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -2.676  -0.074   1.462  0.00  0.00    +0.179 A 
ATOM      5  N   LIG    1       -3.611  -0.754   0.723  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1       -4.608  -1.118   1.601  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -4.196  -0.622   2.826  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -3.402  -0.932  -0.631  0.00  0.00    +0.116 A 
ATOM      9  C   LIG    1       -2.283  -0.430  -1.188  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1       -1.994  -0.589  -2.653  0.00  0.00    +0.067 C 
ATOM     11  N   LIG    1       -2.991   0.029   2.735  0.00  0.00    -0.232 NA
ATOM     12  N   LIG    1       -1.320   0.262  -0.468  0.00  0.00    -0.232 NA
BRANCH   6  13
ATOM     13  C   LIG    1       -5.923  -1.903   1.356  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -6.401  -2.425   0.180  0.00  0.00    +0.115 A 
ATOM     15  N   LIG    1       -7.594  -3.022   0.487  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1       -8.230  -3.512  -0.134  0.00  0.00    +0.188 HD
ATOM     17  N   LIG    1       -7.923  -2.923   1.784  0.00  0.00    -0.182 NA
ATOM     18  C   LIG    1       -6.905  -2.241   2.313  0.00  0.00    +0.144 A 
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        2.533   2.492   0.196  0.00  0.00    +0.058 A 
ATOM     20  N   LIG    1        2.804   2.952   1.420  0.00  0.00    -0.213 NA
ATOM     21  S   LIG    1        1.597   2.497   2.452  0.00  0.00    +0.027 S 
ATOM     22  C   LIG    1        0.620   1.707   1.279  0.00  0.00    +0.091 A 
ATOM     23  C   LIG    1        1.277   1.804   0.069  0.00  0.00    +0.056 A 
BRANCH  19  24
ATOM     24  C   LIG    1        3.490   2.787  -0.918  0.00  0.00    +0.111 C 
BRANCH  24  27
ATOM     25  C   LIG    1        6.036   0.117  -0.889  0.00  0.00    +0.215 A 
ATOM     26  N   LIG    1        5.392   1.272  -0.616  0.00  0.00    -0.218 NA
ATOM     27  C   LIG    1        4.204   1.493  -1.233  0.00  0.00    +0.051 A 
ATOM     28  C   LIG    1        3.664   0.583  -2.145  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        4.355  -0.595  -2.415  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        5.564  -0.835  -1.774  0.00  0.00    +0.067 A 
BRANCH  25  32
ATOM     31  C   LIG    1        7.621   0.830   0.674  0.00  0.00    +0.279 C 
ATOM     32  O   LIG    1        7.242  -0.161  -0.276  0.00  0.00    -0.480 OA
ENDBRANCH  25  32
ENDBRANCH  24  27
ENDBRANCH  19  24
ENDBRANCH   1  22
TORSDOF 6