REMARK  Name = BDB057252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.540  -1.753   2.030  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.491  -2.135   0.982  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.414  -3.344   0.268  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -1.379  -3.627  -0.707  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.399  -2.713  -0.994  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.482  -1.499  -0.305  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.644  -4.377   0.570  0.00  0.00    +0.035 C 
ATOM      8  C   LIG    1        1.824  -3.823   1.363  0.00  0.00    +0.007 C 
ATOM      9  C   LIG    1       -1.522  -1.224   0.679  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        1.331  -2.974   2.530  0.00  0.00    +0.027 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -3.521  -0.516  -0.583  0.00  0.00    +0.089 A 
ATOM     12  N   LIG    1       -3.497   0.772  -0.052  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1       -4.579   1.334  -0.520  0.00  0.00    +0.110 A 
ATOM     14  C   LIG    1       -5.241   2.647  -0.423  0.00  0.00    +0.076 C 
ATOM     15  C   LIG    1       -6.263   2.564  -1.586  0.00  0.00    +0.029 C 
ATOM     16  C   LIG    1       -6.489   1.062  -1.848  0.00  0.00    +0.123 C 
ATOM     17  N   LIG    1       -5.283   0.479  -1.306  0.00  0.00    -0.334 N 
ATOM     18  C   LIG    1       -4.646  -0.703  -1.377  0.00  0.00    +0.115 A 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     19  C   LIG    1        2.198   0.069   2.277  0.00  0.00    +0.245 C 
ATOM     20  N   LIG    1        1.426  -0.739   1.472  0.00  0.00    -0.305 N 
ATOM     21  H   LIG    1        1.241  -0.446   0.522  0.00  0.00    +0.150 HD
ATOM     22  O   LIG    1        2.247  -0.036   3.497  0.00  0.00    -0.270 OA
BRANCH  19  28
ATOM     23  C   LIG    1        4.157   2.005  -0.349  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        4.432   3.191   0.358  0.00  0.00    -0.009 A 
ATOM     25  C   LIG    1        5.213   4.305  -0.284  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1        3.985   3.330   1.680  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        3.262   2.307   2.292  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        2.972   1.137   1.585  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        3.432   0.981   0.270  0.00  0.00    +0.059 A 
BRANCH  23  31
ATOM     30  C   LIG    1        4.378   0.783  -2.390  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        4.649   1.952  -1.628  0.00  0.00    -0.495 OA
ENDBRANCH  23  31
ENDBRANCH  19  28
ENDBRANCH   1  20
TORSDOF 4