REMARK  Name = BDB047980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.770  -1.506  -0.647  0.00  0.00    +0.024 C 
ATOM      2  C   LIG    1       -3.641  -0.668  -0.063  0.00  0.00    +0.057 C 
ATOM      3  N   LIG    1       -2.335  -1.332  -0.139  0.00  0.00    -0.294 NA
ATOM      4  C   LIG    1       -2.071  -2.391   0.856  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1       -0.850  -3.298   0.528  0.00  0.00    +0.160 C 
ATOM      6  N   LIG    1        0.453  -2.951   1.107  0.00  0.00    -0.250 N 
ATOM      7  C   LIG    1        1.558  -3.745   0.756  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1        1.603  -4.947   0.567  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1        2.681  -2.834   0.536  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        2.166  -1.551   0.679  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1        2.965  -0.444   0.419  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        2.401   0.939   0.411  0.00  0.00    +0.138 A 
ATOM     13  C   LIG    1        3.219   2.063   1.054  0.00  0.00    +0.275 A 
ATOM     14  O   LIG    1        4.265   1.840   1.644  0.00  0.00    -0.266 OA
ATOM     15  N   LIG    1        2.692   3.324   0.940  0.00  0.00    -0.319 N 
ATOM     16  H   LIG    1        3.225   4.079   1.347  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        1.463   3.564   0.318  0.00  0.00    +0.071 A 
ATOM     18  C   LIG    1        0.731   2.484  -0.209  0.00  0.00    +0.130 A 
ATOM     19  C   LIG    1       -0.511   2.768  -0.817  0.00  0.00    +0.148 A 
ATOM     20  O   LIG    1       -1.322   1.812  -1.393  0.00  0.00    -0.485 OA
ATOM     21  C   LIG    1       -2.035   1.069  -0.401  0.00  0.00    +0.189 C 
ATOM     22  C   LIG    1       -0.971   4.086  -0.924  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -0.226   5.136  -0.393  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        0.991   4.877   0.235  0.00  0.00    +0.028 A 
ATOM     25  N   LIG    1        1.244   1.168  -0.147  0.00  0.00    -0.236 NA
ATOM     26  C   LIG    1        4.302  -0.675   0.050  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        4.809  -1.987  -0.062  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        3.987  -3.090   0.168  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1        0.822  -1.574   1.098  0.00  0.00    -0.293 N 
ATOM     30  H   LIG    1        0.733  -1.155   2.025  0.00  0.00    +0.187 HD
ATOM     31  C   LIG    1       -1.343  -0.248  -0.069  0.00  0.00    +0.129 C 
ATOM     32  C   LIG    1       -3.397   0.599  -0.896  0.00  0.00    +0.064 C 
ENDROOT
TORSDOF 0