REMARK  Name = BDB008900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.061  -0.284  -0.412  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -0.039   0.652  -0.633  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.011   0.379  -1.525  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        1.012  -0.838  -2.219  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.003  -1.776  -2.005  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.024  -1.503  -1.103  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.182   0.008   0.566  0.00  0.00    +0.119 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -4.607   0.157   0.915  0.00  0.00    +0.057 C 
ATOM      9  N   LIG    1       -3.513  -0.031  -0.054  0.00  0.00    -0.295 NA
ATOM     10  C   LIG    1       -3.692   1.046  -1.036  0.00  0.00    +0.085 C 
ATOM     11  C   LIG    1       -5.193   1.078  -1.259  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -5.798   0.505   0.015  0.00  0.00    +0.020 C 
BRANCH   8  14
ATOM     13  C   LIG    1       -6.027  -0.883   2.754  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -4.870  -1.082   1.784  0.00  0.00    +0.015 C 
ENDBRANCH   8  14
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  15
ATOM     15  C   LIG    1        2.094   1.406  -1.761  0.00  0.00    +0.092 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.509   0.842  -1.669  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1        4.068   0.449  -0.336  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1        3.272   0.641   0.925  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        4.117   0.520   2.197  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        5.061  -0.673   2.116  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        6.002  -0.547   0.916  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        5.307  -0.072  -0.330  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        6.064  -0.207  -1.600  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1        7.203  -0.664  -1.629  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1        5.418   0.214  -2.730  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1        5.917   0.128  -3.609  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1        4.161   0.727  -2.788  0.00  0.00    -0.175 NA
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 5