REMARK  Name = BDB027671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.163  -1.159  -0.067  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.910  -2.346   0.034  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.296  -2.190   0.029  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        3.043  -3.353   0.140  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.550  -4.615   0.244  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        1.212  -4.733   0.225  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.894  -0.997  -0.083  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.103   0.079  -0.205  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.361  -3.648   0.123  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.756   0.040  -0.185  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.761   1.391  -0.363  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        4.151   1.532  -0.223  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.734   2.780  -0.379  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.040   3.899  -0.664  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        2.706   3.761  -0.800  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        2.038   2.554  -0.665  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.230  -1.233  -0.054  0.00  0.00    -0.321 N 
ATOM     18  H   LIG    1       -1.535  -1.772   0.753  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.172  -0.123  -0.364  0.00  0.00    +0.056 C 
ATOM     20  C   LIG    1       -3.546  -0.828  -0.529  0.00  0.00    +0.034 C 
ATOM     21  C   LIG    1       -1.834   0.487  -1.743  0.00  0.00    +0.034 C 
BRANCH  19  23
ATOM     22  C   LIG    1       -2.342   0.363   2.196  0.00  0.00    +0.043 C 
ATOM     23  C   LIG    1       -2.233   0.972   0.789  0.00  0.00    +0.081 C 
ATOM     24  C   LIG    1       -3.387   1.970   0.605  0.00  0.00    +0.043 C 
BRANCH  23  25
ATOM     25  O   LIG    1       -1.048   1.781   0.794  0.00  0.00    -0.387 OA
ATOM     26  H   LIG    1       -0.302   1.172   0.611  0.00  0.00    +0.210 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5