REMARK  Name = BDB014085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.127  -1.954  -2.624  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        2.796  -0.861  -1.743  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        2.282  -1.123  -0.536  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        2.101   0.088   0.039  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        1.737   0.228   1.465  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        1.019  -0.749   2.129  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        0.984  -0.537   3.117  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        0.811  -2.128   1.730  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1       -0.239  -2.829   2.593  0.00  0.00    +0.060 C 
ATOM     10  C   LIG    1       -1.668  -2.443   2.214  0.00  0.00    +0.232 C 
ATOM     11  O   LIG    1       -1.939  -2.921   0.881  0.00  0.00    -0.475 OA
ATOM     12  C   LIG    1       -2.156  -2.007  -0.093  0.00  0.00    +0.233 A 
ATOM     13  N   LIG    1       -2.404  -0.763   0.127  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1       -2.527   0.050  -0.987  0.00  0.00    -0.222 N 
ATOM     15  C   LIG    1       -2.839   1.453  -0.735  0.00  0.00    +0.182 C 
ATOM     16  C   LIG    1       -1.812   2.141   0.135  0.00  0.00    -0.025 A 
ATOM     17  C   LIG    1       -0.517   2.384  -0.349  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1        0.423   3.041   0.455  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        1.767   3.387  -0.064  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        2.475   2.510  -0.849  0.00  0.00    -0.278 N 
ATOM     21  H   LIG    1        3.166   2.973  -1.426  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        2.180   4.537   0.091  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1        0.061   3.492   1.729  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -1.216   3.237   2.223  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -2.146   2.561   1.432  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -2.401  -0.408  -2.293  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -2.485   0.289  -3.301  0.00  0.00    -0.266 OA
ATOM     28  C   LIG    1       -2.157  -1.860  -2.455  0.00  0.00    +0.077 A 
ATOM     29  C   LIG    1       -2.046  -2.661  -1.395  0.00  0.00    +0.074 A 
ATOM     30  O   LIG    1        2.087   1.203   2.134  0.00  0.00    -0.268 OA
ATOM     31  C   LIG    1        2.470   1.127  -0.886  0.00  0.00    +0.084 A 
ATOM     32  C   LIG    1        2.964   0.463  -1.988  0.00  0.00    +0.132 A 
ENDROOT
TORSDOF 0