REMARK  Name = BDB016994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.087   1.058  -1.050  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        0.904   0.157  -0.788  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.731   0.785   0.121  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.256   2.050   0.402  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.166   2.184  -0.322  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.935   0.216   0.710  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.299  -1.027   0.299  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.412  -1.564   0.838  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.205  -0.917   1.767  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        4.822   0.363   2.172  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        3.665   0.937   1.643  0.00  0.00    +0.043 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.610   1.152   3.156  0.00  0.00    +0.257 C 
ATOM     13  N   LIG    1        6.986   0.818   3.225  0.00  0.00    -0.219 N 
ATOM     14  H   LIG    1        7.435   0.339   2.448  0.00  0.00    +0.167 HD
ATOM     15  O   LIG    1        5.075   2.010   3.840  0.00  0.00    -0.269 OA
BRANCH  13  16
ATOM     16  C   LIG    1        7.683   1.611   4.038  0.00  0.00    +0.173 C 
ATOM     17  N   LIG    1        8.363   2.260   4.713  0.00  0.00    -0.174 NA
ENDBRANCH  13  16
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.208   0.863  -1.951  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.409   0.234  -1.232  0.00  0.00    +0.105 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.461  -0.830  -3.166  0.00  0.00    +0.105 C 
ATOM     21  N   LIG    1       -3.608   0.138  -2.081  0.00  0.00    -0.303 NA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.833  -0.083  -1.298  0.00  0.00    +0.087 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.869  -1.367  -0.521  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.364  -1.444   0.899  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.839  -1.512   0.626  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8