REMARK  Name = BDB045786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.749   0.548  -1.715  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1        0.575   1.254  -2.076  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.707   2.448  -2.798  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.965   2.952  -3.138  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        3.115   2.276  -2.753  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.011   1.083  -2.039  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.757  -1.578  -0.968  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        3.529  -1.402  -1.595  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.657  -0.742  -0.956  0.00  0.00    +0.246 C 
ATOM     10  O   LIG    1        0.631  -1.029  -0.342  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.798  -2.799  -0.185  0.00  0.00    +0.105 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.379  -2.575   1.211  0.00  0.00    +0.030 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.525  -1.640   2.066  0.00  0.00    +0.122 C 
BRANCH  13  15
ATOM     14  O   LIG    1        3.899  -2.217   3.983  0.00  0.00    -0.251 OA
ATOM     15  C   LIG    1        3.052  -1.503   3.472  0.00  0.00    +0.305 C 
BRANCH  15  16
ATOM     16  O   LIG    1        2.460  -0.483   4.138  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1        1.815   0.005   3.590  0.00  0.00    +0.295 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  N   LIG    1       -0.694   0.748  -1.695  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1       -0.661  -0.093  -1.113  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -1.941   1.264  -1.972  0.00  0.00    +0.249 C 
ATOM     21  O   LIG    1       -2.208   2.254  -2.643  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -3.072   0.464  -1.438  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1       -3.240   0.167  -0.069  0.00  0.00    -0.006 A 
ATOM     24  C   LIG    1       -4.356  -0.623   0.283  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -5.263  -1.088  -0.674  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.086  -0.768  -2.014  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.997   0.010  -2.396  0.00  0.00    +0.013 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -2.359   0.668   1.008  0.00  0.00    -0.017 A 
ATOM     29  C   LIG    1       -2.086   2.038   1.154  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -1.296   2.507   2.208  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -0.777   1.618   3.146  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.035   0.256   3.022  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -1.810  -0.213   1.957  0.00  0.00    +0.008 A 
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH   2  18
TORSDOF 9