REMARK  Name = BDB016481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.039   0.041   4.754  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -1.087   0.066   3.772  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.918   0.372   2.427  0.00  0.00    +0.125 A 
ATOM      4  N   LIG    1       -1.948   0.354   1.564  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -3.165   0.036   2.042  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -3.432  -0.239   3.330  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -2.378  -0.227   4.163  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -4.304   0.063   1.106  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.310  -0.581  -0.160  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -5.440  -0.432  -0.996  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -6.556   0.299  -0.592  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -6.570   0.902   0.657  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.458   0.785   1.491  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -3.141  -1.435  -0.649  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -2.379  -0.723  -1.770  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -3.583  -2.834  -1.101  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        0.376   0.672   1.953  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        0.763   1.425   2.516  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.449   0.968   0.523  0.00  0.00    +0.106 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.910   1.224   0.113  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1        2.782  -0.045   0.238  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1        2.976  -0.726  -1.113  0.00  0.00    +0.107 C 
ATOM     23  N   LIG    1        3.663   0.176  -2.052  0.00  0.00    -0.314 N 
ATOM     24  C   LIG    1        3.315   1.604  -1.965  0.00  0.00    +0.107 C 
ATOM     25  C   LIG    1        1.945   1.794  -1.319  0.00  0.00    +0.024 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.040  -0.057  -2.221  0.00  0.00    +0.140 A 
ATOM     27  N   LIG    1        5.683  -0.940  -1.423  0.00  0.00    -0.237 NA
ATOM     28  C   LIG    1        7.008  -1.120  -1.637  0.00  0.00    +0.132 A 
ATOM     29  C   LIG    1        7.705  -0.445  -2.621  0.00  0.00    +0.130 A 
ATOM     30  N   LIG    1        7.105   0.437  -3.442  0.00  0.00    -0.258 NA
ATOM     31  C   LIG    1        5.773   0.601  -3.222  0.00  0.00    +0.154 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6