REMARK  Name = BDB055573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.256   0.797   0.390  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1       -1.491   0.519   0.914  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -1.737   0.420   2.112  0.00  0.00    -0.272 OA
ATOM      4  C   LIG    1       -2.514   0.359  -0.256  0.00  0.00    +0.164 C 
ATOM      5  N   LIG    1       -1.600   0.580  -1.362  0.00  0.00    -0.278 N 
ATOM      6  H   LIG    1       -1.869   0.630  -2.333  0.00  0.00    +0.152 HD
ATOM      7  C   LIG    1       -0.313   0.825  -0.966  0.00  0.00    +0.310 C 
ATOM      8  O   LIG    1        0.605   1.028  -1.743  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.085  -1.068  -0.241  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -4.015  -1.435   0.752  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -4.552  -2.723   0.798  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.166  -3.672  -0.143  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.242  -3.336  -1.128  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -2.704  -2.047  -1.177  0.00  0.00    +0.006 A 
ENDBRANCH   4   9
BRANCH   4  15
ATOM     15  C   LIG    1       -3.600   1.443  -0.316  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1       -3.705   2.474   0.633  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -4.703   3.448   0.530  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.614   3.412  -0.522  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.531   2.401  -1.474  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.535   1.428  -1.374  0.00  0.00    +0.006 A 
ENDBRANCH   4  15
BRANCH   1  21
ATOM     21  C   LIG    1        0.956   0.964   1.165  0.00  0.00    +0.118 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.663  -0.376   1.377  0.00  0.00    +0.019 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.911  -0.272   2.256  0.00  0.00    +0.002 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.019   0.647   1.730  0.00  0.00    +0.000 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.519   0.348   0.312  0.00  0.00    -0.000 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.127  -1.049   0.165  0.00  0.00    -0.000 C 
BRANCH  26  28
ATOM     27  C   LIG    1        6.804  -0.490  -1.679  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1        5.621  -1.346  -1.253  0.00  0.00    -0.003 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 9