REMARK  Name = BDB027698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.239  -1.395   0.066  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.130  -2.219   0.773  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -2.449  -1.767   0.831  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -3.341  -2.579   1.516  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -3.044  -3.755   2.131  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.762  -4.151   2.072  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.854  -0.619   0.271  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -1.923   0.118  -0.355  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.781  -3.431   1.415  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.635  -0.238  -0.488  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.344   1.402  -0.943  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -3.697   1.766  -1.024  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -4.043   2.985  -1.587  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -3.149   3.868  -2.073  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -1.850   3.517  -1.987  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -1.409   2.321  -1.444  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        1.110  -1.797  -0.058  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1        1.116  -2.711  -0.503  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1        3.284  -1.636  -1.148  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1        2.016  -0.868  -0.750  0.00  0.00    +0.099 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.408   0.314   0.125  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1        2.579   1.582  -0.454  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        2.959   2.677   0.325  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.179   2.519   1.691  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.023   1.266   2.280  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        2.643   0.170   1.502  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 4