REMARK  Name = BDB060090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.282  -2.339   1.477  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -0.348  -1.346   1.095  0.00  0.00    +0.131 A 
ATOM      3  N   LIG    1        0.788  -0.883   1.723  0.00  0.00    -0.225 NA
ATOM      4  C   LIG    1        1.314   0.029   0.927  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1        0.531   0.197  -0.193  0.00  0.00    -0.328 N 
ATOM      6  C   LIG    1        0.783   1.116  -1.278  0.00  0.00    +0.150 C 
ATOM      7  C   LIG    1       -0.532  -0.674  -0.114  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -1.608  -0.936  -0.975  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -2.535  -1.904  -0.571  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -2.365  -2.604   0.625  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -1.269  -3.111   2.633  0.00  0.00    -0.490 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -0.289  -3.871   4.665  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1       -0.148  -2.914   3.494  0.00  0.00    +0.226 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  C   LIG    1        2.568   0.795   1.200  0.00  0.00    +0.303 C 
BRANCH  14  15
ATOM     15  O   LIG    1        3.446   0.574   0.095  0.00  0.00    -0.484 OA
BRANCH  15  16
ATOM     16  C   LIG    1        4.659   1.204   0.125  0.00  0.00    +0.122 A 
ATOM     17  C   LIG    1        5.129   2.032   1.143  0.00  0.00    +0.060 A 
ATOM     18  C   LIG    1        6.401   2.612   1.037  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        7.194   2.392  -0.095  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        6.723   1.561  -1.109  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        5.465   0.968  -0.994  0.00  0.00    +0.046 A 
BRANCH  18  22
ATOM     22  C   LIG    1        6.858   3.493   2.134  0.00  0.00    +0.337 C 
ATOM     23  O   LIG    1        6.118   4.267   2.713  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        8.157   3.313   2.453  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        8.578   2.541   2.031  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   4  14
BRANCH   9  26
ATOM     26  O   LIG    1       -3.635  -2.266  -1.323  0.00  0.00    -0.438 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.264  -1.249  -2.012  0.00  0.00    +0.223 A 
ATOM     28  C   LIG    1       -5.277  -0.515  -1.395  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1       -5.672  -0.747   0.030  0.00  0.00    +0.049 C 
ATOM     30  C   LIG    1       -5.895   0.483  -2.155  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1       -5.514   0.696  -3.482  0.00  0.00    -0.032 A 
ATOM     32  C   LIG    1       -6.194   1.722  -4.330  0.00  0.00    +0.045 C 
ATOM     33  C   LIG    1       -4.525  -0.128  -4.005  0.00  0.00    +0.118 A 
ATOM     34  N   LIG    1       -3.889  -1.090  -3.303  0.00  0.00    -0.221 NA
ENDBRANCH  26  27
ENDBRANCH   9  26
TORSDOF 9