REMARK  Name = BDB051953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.468  -2.128  -0.946  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -1.660  -1.370  -0.816  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -2.886  -2.032  -0.899  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.936  -3.422  -1.036  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -1.754  -4.168  -1.120  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -0.516  -3.517  -1.081  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.022  -1.801  -1.070  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1        0.726  -1.379  -0.899  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1        0.553  -0.385  -0.786  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.370  -2.934  -1.381  0.00  0.00    -0.270 OA
BRANCH   7  19
ATOM     11  C   LIG    1        6.902   1.958  -1.419  0.00  0.00    +0.113 C 
ATOM     12  C   LIG    1        6.155   0.754  -1.885  0.00  0.00    +0.229 C 
ATOM     13  N   LIG    1        4.912   0.464  -1.274  0.00  0.00    -0.287 N 
ATOM     14  C   LIG    1        4.183   1.147  -0.286  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        3.015   0.400  -0.028  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.129   0.843   0.984  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        2.380   2.022   1.683  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.510   2.768   1.397  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        3.007  -0.729  -0.904  0.00  0.00    +0.063 A 
ATOM     20  C   LIG    1        4.420   2.345   0.423  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        4.184  -0.665  -1.616  0.00  0.00    +0.108 A 
ATOM     22  O   LIG    1        6.574   0.014  -2.771  0.00  0.00    -0.273 OA
ENDBRANCH   7  19
ENDBRANCH   1   8
BRANCH   2  23
ATOM     23  N   LIG    1       -1.543   0.035  -0.760  0.00  0.00    -0.340 N 
ATOM     24  H   LIG    1       -1.723   0.406  -1.695  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.257   0.828   0.266  0.00  0.00    +0.070 C 
ATOM     26  C   LIG    1       -2.135   0.195   1.662  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1       -2.428   1.144   2.823  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -3.790   1.835   2.779  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -3.867   2.932   1.722  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -4.246   2.464   0.318  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -3.713   1.104  -0.131  0.00  0.00    +0.022 C 
ENDBRANCH  23  25
ENDBRANCH   2  23
BRANCH   5  32
ATOM     32  C   LIG    1       -1.772  -5.645  -1.259  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -0.802  -6.377  -1.314  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -3.020  -6.146  -1.324  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -2.870  -7.111  -1.416  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH   5  32
TORSDOF 6