REMARK  Name = BDB021666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.992  -1.150   0.201  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1       -0.541  -0.884  -0.224  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1       -0.238   0.102  -0.904  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.401  -1.811   0.147  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1        0.229  -2.925   1.050  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1        1.411  -3.825   0.711  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        2.529  -2.852   0.356  0.00  0.00    +0.036 C 
ATOM      8  O   LIG    1       -0.992  -3.634   0.917  0.00  0.00    -0.359 OA
ATOM      9  C   LIG    1       -1.609  -3.613  -0.361  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        1.818  -1.592  -0.160  0.00  0.00    +0.168 C 
ATOM     11  C   LIG    1       -2.532  -2.407  -0.483  0.00  0.00    +0.060 C 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1        2.337  -0.379   0.615  0.00  0.00    +0.252 C 
ATOM     13  N   LIG    1        3.452   0.283   0.046  0.00  0.00    -0.286 N 
ATOM     14  C   LIG    1        4.066   1.440   0.551  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        5.143   1.760  -0.283  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.933   2.892   0.004  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        5.631   3.683   1.115  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.558   3.360   1.936  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.189   0.787  -1.306  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        3.762   2.242   1.670  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        4.161  -0.097  -1.086  0.00  0.00    +0.095 A 
ATOM     22  O   LIG    1        1.886  -0.015   1.698  0.00  0.00    -0.270 OA
ENDBRANCH  10  12
BRANCH   1  24
ATOM     23  C   LIG    1       -4.012   0.292   0.399  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -2.778   0.028  -0.163  0.00  0.00    -0.303 N 
ATOM     25  H   LIG    1       -2.269   0.783  -0.614  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1       -4.556  -0.473   1.189  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -4.603   1.652  -0.050  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -5.958   1.891   0.612  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -4.759   3.007  -2.070  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -4.726   1.657  -1.526  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -3.937   1.152  -1.932  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH   1  24
TORSDOF 4