REMARK  Name = BDB057443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.911   3.102  -0.150  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.237   1.872  -0.009  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1        0.161   1.861  -0.118  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        0.782   0.607   0.044  0.00  0.00    +0.136 A 
ATOM      5  N   LIG    1        0.077  -0.513   0.269  0.00  0.00    -0.212 NA
ATOM      6  C   LIG    1       -1.254  -0.411   0.335  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1        0.855   3.067  -0.389  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        0.173   4.270  -0.527  0.00  0.00    +0.004 A 
ATOM      9  N   LIG    1       -1.928   0.744   0.222  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -1.210   4.290  -0.401  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.030  -1.646   0.565  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -3.426  -1.616   0.753  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -4.160  -2.786   0.973  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.514  -4.018   1.007  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -2.136  -4.081   0.822  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -1.406  -2.909   0.603  0.00  0.00    +0.011 A 
ENDBRANCH   6  11
BRANCH   1  18
ATOM     17  C   LIG    1       -4.027   4.228  -0.266  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -3.283   3.045  -0.016  0.00  0.00    -0.493 OA
ENDBRANCH   1  18
BRANCH   4  19
ATOM     19  N   LIG    1        2.200   0.528   0.005  0.00  0.00    -0.282 N 
ATOM     20  H   LIG    1        2.586   1.189   0.666  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.947  -0.562  -0.285  0.00  0.00    +0.146 A 
ATOM     22  N   LIG    1        2.623  -1.581  -1.083  0.00  0.00    -0.158 NA
ATOM     23  N   LIG    1        3.690  -2.388  -1.058  0.00  0.00    -0.280 N 
ATOM     24  H   LIG    1        3.646  -3.249  -1.591  0.00  0.00    +0.189 HD
ATOM     25  C   LIG    1        4.723  -1.909  -0.303  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1        6.001  -2.635  -0.156  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1        4.269  -0.714   0.208  0.00  0.00    +0.068 A 
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 4