REMARK  Name = BDB008950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.628   0.522   0.943  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.479  -0.036   0.290  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        0.927  -1.320   0.635  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        0.237  -2.033   1.631  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.849  -1.461   2.299  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.277  -0.178   1.965  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.944   3.561  -0.896  0.00  0.00    +0.132 C 
ATOM      8  N   LIG    1       -1.495   2.198  -0.670  0.00  0.00    -0.299 N 
ATOM      9  C   LIG    1       -1.068   1.897   0.628  0.00  0.00    +0.246 C 
ATOM     10  O   LIG    1       -1.030   2.717   1.544  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -1.972   1.180  -1.619  0.00  0.00    +0.126 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.410   0.658  -1.329  0.00  0.00    +0.074 C 
ATOM     13  N   LIG    1       -4.504   1.626  -1.581  0.00  0.00    -0.301 NA
ATOM     14  C   LIG    1       -4.603   2.082  -2.967  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1       -5.801   1.111  -1.100  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -5.884  -0.414  -0.937  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -5.110  -1.134  -2.032  0.00  0.00    +0.003 C 
ATOM     18  C   LIG    1       -3.648  -0.678  -2.067  0.00  0.00    +0.020 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1        2.131  -1.926  -0.053  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.287  -2.217   0.903  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        4.352  -1.183   1.115  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1        4.301   0.139   0.400  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        5.318   1.164   0.915  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        6.669   0.518   1.194  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        6.535  -0.615   2.217  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1        5.355  -1.511   1.949  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        5.358  -2.833   2.629  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1        6.248  -3.157   3.409  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1        4.314  -3.667   2.325  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1        4.279  -4.562   2.803  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1        3.288  -3.387   1.478  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5