REMARK  Name = BDB014846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.584   0.682   0.423  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        1.600   1.671   0.512  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        0.242   1.350   0.367  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.173   0.038   0.127  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        0.822  -0.948   0.037  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        2.180  -0.634   0.181  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        6.139   0.902   1.019  0.00  0.00    -0.270 N 
ATOM      8  N   LIG    1        5.976   2.170   0.595  0.00  0.00    -0.179 NA
ATOM      9  C   LIG    1        4.672   2.240   0.313  0.00  0.00    +0.142 A 
ATOM     10  C   LIG    1        3.988   1.028   0.568  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        4.973   0.188   1.046  0.00  0.00    +0.116 A 
BRANCH   7  12
ATOM     12  C   LIG    1        7.440   0.453   1.469  0.00  0.00    +0.158 C 
BRANCH  12  13
ATOM     13  C   LIG    1        8.039  -0.698   0.647  0.00  0.00    +0.104 C 
BRANCH  13  15
ATOM     14  C   LIG    1        7.764  -0.095  -1.700  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1        8.703  -0.339  -0.613  0.00  0.00    -0.317 NA
ATOM     16  H   LIG    1        9.279   0.493  -0.482  0.00  0.00    +0.122 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   4  17
ATOM     17  N   LIG    1       -1.524  -0.346  -0.029  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1       -1.604  -1.344  -0.179  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.672   0.376  -0.038  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.946  -0.240  -0.183  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -4.330  -1.668  -0.327  0.00  0.00    +0.148 C 
ATOM     22  N   LIG    1       -5.773  -1.800  -0.607  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -6.686  -0.830   0.041  0.00  0.00    +0.114 C 
ATOM     24  C   LIG    1       -6.321   0.639  -0.263  0.00  0.00    +0.074 C 
ATOM     25  C   LIG    1       -6.184  -3.044  -1.069  0.00  0.00    +0.213 C 
ATOM     26  O   LIG    1       -5.389  -3.953  -1.314  0.00  0.00    -0.276 OA
ATOM     27  C   LIG    1       -7.661  -3.255  -1.278  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1       -4.854   0.796  -0.146  0.00  0.00    +0.047 A 
ATOM     29  N   LIG    1       -4.129   1.935  -0.010  0.00  0.00    -0.269 N 
ATOM     30  C   LIG    1       -4.606   3.295   0.055  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1       -2.809   1.702   0.081  0.00  0.00    -0.156 NA
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 6