REMARK  Name = BDB052829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.837   0.523  -0.756  0.00  0.00    -0.310 N 
ATOM      2  C   LIG    1        0.482   1.228  -1.907  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -0.906   1.143  -2.040  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -1.534   1.787  -3.128  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -0.771   2.516  -4.042  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.604   2.622  -3.878  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.396   0.376  -0.947  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1        1.250   1.992  -2.810  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -0.299  -0.077  -0.219  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -2.792   0.033  -0.697  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1       -3.402   0.662   0.385  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -2.807   1.777   1.130  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -3.658   2.205   2.339  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1       -5.061   2.515   2.028  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1       -5.152   3.498   1.770  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -5.590   1.691   0.924  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -4.814   0.390   0.662  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1       -3.377  -0.764  -1.423  0.00  0.00    -0.270 OA
ENDBRANCH   7  10
BRANCH   1  22
ATOM     19  C   LIG    1        4.624   0.369   0.914  0.00  0.00    +0.215 A 
ATOM     20  N   LIG    1        3.586   0.722   1.705  0.00  0.00    -0.219 NA
ATOM     21  C   LIG    1        2.368   0.768   1.118  0.00  0.00    +0.140 A 
ATOM     22  C   LIG    1        2.146   0.467  -0.220  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1        3.236   0.120  -1.016  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        4.500   0.066  -0.434  0.00  0.00    +0.069 A 
BRANCH  19  26
ATOM     25  C   LIG    1        5.952   0.619   2.825  0.00  0.00    +0.279 C 
ATOM     26  O   LIG    1        5.898   0.291   1.440  0.00  0.00    -0.480 OA
ENDBRANCH  19  26
ENDBRANCH   1  22
BRANCH   9  27
ATOM     27  C   LIG    1       -0.297  -1.105   0.889  0.00  0.00    +0.090 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.579  -2.322   0.634  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1        0.331  -3.245  -0.406  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1       -0.835  -3.118  -1.346  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1        1.224  -4.312  -0.590  0.00  0.00    +0.127 A 
ATOM     32  F   LIG    1        1.028  -5.184  -1.591  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        2.319  -4.506   0.243  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1        2.545  -3.624   1.292  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        1.679  -2.547   1.488  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH   9  27
TORSDOF 5