REMARK  Name = BDB049101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.954   1.341  -1.102  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1       -2.568   2.302  -0.035  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -3.989   1.722   0.144  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1       -3.786   0.277   0.015  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1       -2.928   0.144  -1.171  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        2.160   0.075  -0.253  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        1.109  -0.190   0.637  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -0.209   0.212   0.378  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -0.532   0.900  -0.795  0.00  0.00    -0.041 A 
ATOM     10  C   LIG    1        0.497   1.154  -1.705  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        1.812   0.748  -1.434  0.00  0.00    +0.023 A 
BRANCH   6  14
ATOM     12  C   LIG    1        5.822  -0.155   0.155  0.00  0.00    +0.092 C 
ATOM     13  C   LIG    1        4.611   0.179  -0.739  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1        3.452  -0.326  -0.000  0.00  0.00    -0.328 N 
ATOM     15  C   LIG    1        3.869  -1.009   1.222  0.00  0.00    +0.107 C 
ATOM     16  C   LIG    1        5.332  -1.350   0.965  0.00  0.00    +0.042 C 
BRANCH  12  19
ATOM     17  C   LIG    1        9.409  -0.875  -0.824  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1        8.266  -0.416   0.041  0.00  0.00    +0.210 C 
ATOM     19  N   LIG    1        7.040  -0.446  -0.584  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1        6.958  -0.987  -1.436  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1        8.430  -0.062   1.204  0.00  0.00    -0.276 OA
ENDBRANCH  12  19
ENDBRANCH   6  14
ENDBRANCH   1   9
BRANCH   2  22
ATOM     22  N   LIG    1       -2.562   3.744  -0.402  0.00  0.00    -0.304 NA
ATOM     23  C   LIG    1       -3.227   4.556   0.624  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1       -1.195   4.242  -0.588  0.00  0.00    +0.104 C 
ENDBRANCH   2  22
BRANCH   4  25
ATOM     25  C   LIG    1       -5.055  -0.446  -0.112  0.00  0.00    +0.122 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.885  -1.951  -0.110  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.195  -2.667  -1.275  0.00  0.00    +0.128 A 
ATOM     28  F   LIG    1       -5.638  -2.018  -2.363  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -5.054  -4.049  -1.347  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -4.589  -4.750  -0.240  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -4.272  -4.063   0.932  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.423  -2.667   1.018  0.00  0.00    -0.043 A 
ATOM     33  C   LIG    1       -4.038  -1.974   2.297  0.00  0.00    +0.044 C 
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 6