REMARK  Name = BDB009195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.333  -1.849  -2.128  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.735  -0.524  -2.345  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.972  -0.242  -2.950  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.780  -1.307  -3.372  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.371  -2.628  -3.178  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.151  -2.899  -2.559  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.366  -1.291  -0.490  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1        0.717  -0.558  -0.237  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        0.965  -2.180  -1.470  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        1.542  -3.205  -1.815  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        4.892  -1.248   1.864  0.00  0.00    -0.045 A 
ATOM     12  C   LIG    1        4.729  -2.222   0.870  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        3.574  -2.260   0.080  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        2.556  -1.327   0.267  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        2.715  -0.349   1.256  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        3.869  -0.310   2.046  0.00  0.00    +0.006 A 
BRANCH  11  18
ATOM     17  C   LIG    1        6.948   0.064   2.500  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1        6.156  -1.230   2.705  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        5.849  -1.452   4.188  0.00  0.00    +0.012 C 
ENDBRANCH  11  18
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -2.406   1.188  -3.173  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.435   2.004  -1.882  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.590   1.863  -0.939  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.761   0.981  -1.272  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.973   1.211  -0.363  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.550   1.340   1.095  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.573   2.502   1.280  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -3.521   2.562   0.207  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -2.359   3.448   0.472  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -2.270   4.109   1.501  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -1.398   3.481  -0.501  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -0.600   4.088  -0.343  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -1.408   2.771  -1.659  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5