REMARK  Name = BDB009020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.203  -0.929  -1.048  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.882  -1.647  -0.522  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.058  -1.840  -1.267  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.123  -1.332  -2.569  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.050  -0.617  -3.097  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.106  -0.413  -2.339  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.777   0.493  -1.546  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        2.514  -0.109  -0.512  0.00  0.00    +0.220 C 
ATOM      9  N   LIG    1        1.337  -0.781  -0.221  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        1.282  -1.221   0.689  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.496  -0.192   0.637  0.00  0.00    +0.137 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.791   0.543   0.324  0.00  0.00    +0.238 C 
BRANCH  12  13
ATOM     13  O   LIG    1        5.646   0.412   1.462  0.00  0.00    -0.491 OA
BRANCH  13  14
ATOM     14  C   LIG    1        6.875   1.008   1.384  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        7.370   1.732   0.298  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        8.651   2.291   0.352  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        9.440   2.131   1.490  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        8.951   1.410   2.576  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        7.673   0.852   2.521  0.00  0.00    +0.045 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -3.208  -2.628  -0.683  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.568  -1.956  -0.856  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.902  -0.735  -0.056  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -3.934  -0.179   0.951  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -4.570   0.837   1.905  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.464   1.812   1.150  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.580   1.072   0.410  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -6.103  -0.175  -0.282  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -7.037  -0.784  -1.262  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -8.146  -0.309  -1.480  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -6.586  -1.908  -1.899  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -7.209  -2.339  -2.574  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -5.375  -2.498  -1.719  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7