REMARK  Name = BDB015742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.524   1.820  -1.696  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.679   1.349  -2.039  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -1.122   0.283  -1.359  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.446  -0.365  -0.398  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.761   0.133  -0.073  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.296   1.232  -0.716  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.492  -0.612   0.984  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        2.245   0.044   1.889  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        2.933  -0.614   2.900  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        3.724   0.177   3.830  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        2.882  -1.996   3.061  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        3.472  -2.630   3.931  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        2.031  -2.725   2.087  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        1.384  -2.058   1.123  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        0.972   2.924  -2.428  0.00  0.00    -0.329 N 
ATOM     16  H   LIG    1        0.210   3.111  -3.083  0.00  0.00    +0.147 HD
BRANCH  15  18
ATOM     17  C   LIG    1        1.615   5.266  -2.536  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        1.269   4.103  -1.619  0.00  0.00    +0.099 C 
ENDBRANCH  15  18
ENDBRANCH   1  15
BRANCH   3  19
ATOM     19  O   LIG    1       -2.361  -0.196  -1.769  0.00  0.00    -0.420 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.989  -1.058  -0.902  0.00  0.00    +0.170 A 
ATOM     21  C   LIG    1       -3.496  -0.593   0.314  0.00  0.00    +0.166 A 
ATOM     22  F   LIG    1       -3.357   0.696   0.658  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1       -4.160  -1.453   1.181  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1       -4.331  -2.790   0.826  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.845  -3.258  -0.400  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -3.179  -2.395  -1.284  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1       -2.655  -2.906  -2.594  0.00  0.00    +0.047 C 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5