REMARK  Name = BDB030270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.119   0.541   1.580  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -0.864   1.296   1.819  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1        0.193   2.113   1.172  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1        1.147   1.062   0.814  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        2.472   1.364   0.550  0.00  0.00    +0.267 C 
ATOM      6  O   LIG    1        2.849   2.538   0.516  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        0.493  -0.249   0.791  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1       -0.941   0.154   0.752  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -6.392   1.756  -0.964  0.00  0.00    +0.088 C 
ATOM     10  C   LIG    1       -5.146   1.800  -0.168  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -4.337   0.747   0.193  0.00  0.00    -0.312 N 
ATOM     12  C   LIG    1       -3.308   1.293   0.917  0.00  0.00    +0.137 A 
ATOM     13  N   LIG    1       -3.469   2.594   0.990  0.00  0.00    -0.134 NA
ATOM     14  N   LIG    1       -4.616   2.912   0.309  0.00  0.00    -0.135 NA
BRANCH  11  15
ATOM     15  C   LIG    1       -4.460  -0.702  -0.048  0.00  0.00    +0.090 C 
ATOM     16  C   LIG    1       -4.954  -1.155  -1.436  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1       -5.776  -2.241  -0.706  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1       -5.718  -1.356   0.559  0.00  0.00    +0.025 C 
ENDBRANCH  11  15
ENDBRANCH   1  12
BRANCH   5  19
ATOM     19  C   LIG    1        3.442   0.270   0.313  0.00  0.00    +0.147 A 
ATOM     20  N   LIG    1        3.195  -1.043   0.493  0.00  0.00    -0.169 NA
ATOM     21  N   LIG    1        4.351  -1.652   0.188  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        4.392  -2.664   0.257  0.00  0.00    +0.189 HD
ATOM     23  C   LIG    1        5.349  -0.798  -0.184  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        4.790   0.458  -0.107  0.00  0.00    +0.057 A 
BRANCH  23  25
ATOM     25  C   LIG    1        6.717  -1.275  -0.562  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1        7.049  -0.895  -2.006  0.00  0.00    +0.014 C 
ATOM     27  C   LIG    1        7.772  -0.725   0.398  0.00  0.00    +0.014 C 
ENDBRANCH  23  25
ENDBRANCH   5  19
TORSDOF 4