REMARK  Name = BDB000147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.941  -1.151  -1.802  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.667  -1.660  -1.692  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.153  -1.766  -0.485  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.303  -2.676  -0.921  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        1.506  -2.289  -2.383  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.092  -2.019  -2.878  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -2.461  -0.959  -2.908  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.694  -0.390  -0.027  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        1.348  -0.423   1.190  0.00  0.00    -0.314 N 
ATOM     10  H   LIG    1        1.462  -1.299   1.682  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.556   0.638  -0.683  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        1.944   0.768   1.764  0.00  0.00    +0.107 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.330   1.074   1.174  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1        4.343  -0.036   1.501  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        5.738   0.296   0.977  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1        6.224   1.649   1.486  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        5.229   2.758   1.165  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1        3.833   2.431   1.692  0.00  0.00    +0.005 C 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  19
ATOM     19  C   LIG    1       -2.735  -0.834  -0.512  0.00  0.00    +0.162 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.417   0.437  -0.752  0.00  0.00    -0.302 N 
ATOM     21  H   LIG    1       -3.561   0.694  -1.723  0.00  0.00    +0.150 HD
ATOM     22  C   LIG    1       -3.783   1.280   0.269  0.00  0.00    +0.230 C 
ATOM     23  O   LIG    1       -3.649   0.970   1.454  0.00  0.00    -0.274 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -4.470   2.596  -0.176  0.00  0.00    +0.135 C 
ATOM     25  C   LIG    1       -3.668   3.361  -1.220  0.00  0.00    +0.033 C 
BRANCH  24  26
ATOM     26  N   LIG    1       -4.660   3.474   0.995  0.00  0.00    -0.320 NA
ATOM     27  H   LIG    1       -5.522   4.004   0.886  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1       -4.785   2.874   1.816  0.00  0.00    +0.119 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  19  20
BRANCH  19  30
ATOM     29  C   LIG    1       -3.054  -3.227   0.335  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -3.747  -1.946  -0.132  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -4.745  -2.277  -1.248  0.00  0.00    +0.009 C 
ENDBRANCH  19  30
ENDBRANCH   1  19
TORSDOF 8