REMARK  Name = BDB053743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.745   0.776   0.787  0.00  0.00    +0.043 A 
ATOM      2  N   LIG    1       -1.004   2.025   0.229  0.00  0.00    -0.310 N 
ATOM      3  C   LIG    1        0.205   2.680   0.002  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        1.221   1.858   0.489  0.00  0.00    +0.101 A 
ATOM      5  N   LIG    1        2.536   2.198   0.452  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        2.807   3.410  -0.065  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        1.865   4.303  -0.544  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        0.520   3.950  -0.509  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        0.629   0.681   1.002  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.297  -0.434   1.655  0.00  0.00    +0.251 C 
ATOM     11  N   LIG    1        2.259  -1.137   0.933  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.887  -2.287   1.579  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.283  -2.581   1.004  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.293  -2.699  -0.465  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.257  -2.794  -0.783  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.711  -1.481  -1.058  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.298  -1.177  -0.532  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.997  -0.730   2.812  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.286   2.571  -0.062  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -3.296   2.536   0.906  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.549   3.083   0.623  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.793   3.664  -0.621  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.785   3.705  -1.584  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.529   3.164  -1.307  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  C   LIG    1       -1.773  -0.310   0.998  0.00  0.00    +0.090 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -1.416  -3.191   1.914  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -1.435  -2.808   0.459  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -1.604  -1.474   0.029  0.00  0.00    -0.039 A 
ATOM     29  C   LIG    1       -1.654  -1.211  -1.355  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -1.497  -2.231  -2.292  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.296  -3.536  -1.864  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.268  -3.822  -0.500  0.00  0.00    +0.003 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4