REMARK  Name = BDB008965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.313   0.212  -2.148  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.392   1.019  -1.433  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -2.359   0.324  -0.527  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.266  -1.157  -0.284  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1       -3.123  -1.638   0.891  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -4.498  -0.981   0.877  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -4.377   0.542   0.950  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -3.304   1.089   0.049  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.331   2.552  -0.199  0.00  0.00    +0.268 A 
ATOM     10  O   LIG    1       -4.168   3.282   0.321  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1       -2.365   3.034  -1.040  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -2.372   4.031  -1.227  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1       -1.406   2.299  -1.663  0.00  0.00    -0.175 NA
ENDBRANCH   1   2
BRANCH   1  17
ATOM     14  C   LIG    1        3.181  -0.555   0.161  0.00  0.00    +0.125 A 
ATOM     15  N   LIG    1        2.587  -1.581  -0.497  0.00  0.00    -0.250 NA
ATOM     16  C   LIG    1        1.483  -1.290  -1.218  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1        0.920  -0.021  -1.312  0.00  0.00    -0.023 A 
ATOM     18  C   LIG    1        1.567   1.019  -0.637  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        2.709   0.752   0.117  0.00  0.00    +0.033 A 
BRANCH  14  23
ATOM     20  C   LIG    1        6.692  -0.256   1.553  0.00  0.00    +0.128 C 
ATOM     21  N   LIG    1        5.426   0.040   0.932  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        5.413   0.736   0.198  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        4.402  -0.898   0.961  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1        4.480  -1.952   1.584  0.00  0.00    -0.269 OA
ENDBRANCH  14  23
ENDBRANCH   1  17
TORSDOF 3