REMARK  Name = BDB007520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.088   1.380  -1.704  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        1.207   1.004  -1.976  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        1.402   0.021  -2.126  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.426   2.534  -1.481  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -2.849  -0.992  -0.600  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.905   0.060  -0.556  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -1.807   0.969   0.642  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -1.071   0.269  -1.677  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -1.164  -0.547  -2.813  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.091  -1.581  -2.850  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -2.928  -1.796  -1.755  0.00  0.00    +0.023 A 
BRANCH   5  12
ATOM     12  N   LIG    1       -3.715  -1.212   0.505  0.00  0.00    -0.327 N 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.159  -0.943   0.205  0.00  0.00    +0.078 C 
ATOM     14  C   LIG    1       -5.371   0.406  -0.503  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1       -6.853   0.664  -0.761  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1       -7.714   0.041   0.192  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -7.144   0.027   1.494  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1       -5.971  -0.942   1.522  0.00  0.00    +0.050 C 
ENDBRANCH  12  13
BRANCH  12  20
ATOM     19  C   LIG    1       -2.220  -2.400   2.080  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1       -3.426  -2.517   1.151  0.00  0.00    +0.102 C 
ENDBRANCH  12  20
ENDBRANCH   5  12
ENDBRANCH   1   8
BRANCH   2  21
ATOM     21  C   LIG    1        2.297   1.952  -2.159  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.637   2.849  -0.952  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1        1.715   3.948  -0.876  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        0.810   3.578  -0.990  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        2.705   2.158   0.430  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.729   1.143   0.718  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        5.091   1.557   0.361  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        6.141   0.508   0.667  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        5.783  -0.837   0.877  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        6.776  -1.793   1.131  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        8.121  -1.423   1.145  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.483  -0.099   0.911  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.328  -1.233   0.894  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        7.499   0.863   0.675  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        3.428  -0.193   0.209  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 9