REMARK  Name = BDB002245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.776  -0.330  -0.567  0.00  0.00    +0.122 C 
ATOM      2  N   LIG    1       -2.299   0.086  -1.880  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -3.186  -0.813  -2.611  0.00  0.00    +0.133 C 
ATOM      4  C   LIG    1       -2.455   1.454  -2.146  0.00  0.00    +0.247 C 
ATOM      5  O   LIG    1       -3.141   1.888  -3.068  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1       -1.790   2.428  -1.229  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -0.915   2.002  -0.223  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1       -0.309   2.954   0.616  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1       -0.583   4.318   0.464  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1       -1.473   4.741  -0.542  0.00  0.00    +0.162 A 
ATOM     11  C   LIG    1       -2.067   3.794  -1.382  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -0.583   0.530  -0.075  0.00  0.00    +0.131 C 
ENDROOT
BRANCH  12  13
ATOM     13  C   LIG    1        0.730   0.221  -0.814  0.00  0.00    +0.225 C 
ATOM     14  N   LIG    1        1.761  -0.393  -0.112  0.00  0.00    -0.298 N 
ATOM     15  C   LIG    1        3.043  -0.598  -0.797  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1        4.215  -0.634   0.198  0.00  0.00    +0.103 C 
ATOM     17  N   LIG    1        4.103  -1.706   1.209  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1        4.839  -1.359   2.420  0.00  0.00    +0.105 C 
ATOM     19  C   LIG    1        2.703  -2.072   1.490  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        1.670  -0.956   1.240  0.00  0.00    +0.123 C 
ATOM     21  O   LIG    1        0.876   0.540  -1.997  0.00  0.00    -0.275 OA
ENDBRANCH  12  13
BRANCH   1  25
ATOM     22  C   LIG    1       -0.980  -4.570  -0.000  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1       -1.826  -3.884   0.869  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -2.089  -2.523   0.668  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -1.512  -1.824  -0.405  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1       -0.669  -2.530  -1.277  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -0.406  -3.886  -1.072  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -1.246  -6.650   1.121  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -0.636  -5.890   0.086  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH   1  25
BRANCH  10  30
ATOM     30  O   LIG    1       -1.696   6.094  -0.619  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -2.502   6.567  -1.690  0.00  0.00    +0.277 C 
ENDBRANCH  10  30
BRANCH   9  32
ATOM     32  O   LIG    1       -0.044   5.305   1.250  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1        1.035   4.953   2.104  0.00  0.00    +0.277 C 
ENDBRANCH   9  32
TORSDOF 5