REMARK  Name = BDB003617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.438   0.303   0.194  0.00  0.00    -0.340 N 
ATOM      2  H   LIG    1        1.125  -0.139   1.055  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.828   0.271   0.059  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        3.491   0.408  -1.168  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1        4.889   0.440  -1.239  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        5.636   0.364  -0.071  0.00  0.00    +0.117 A 
ATOM      7  C   LIG    1        5.008   0.270   1.160  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        3.612   0.239   1.222  0.00  0.00    +0.026 A 
BRANCH   6   9
ATOM      9  O   LIG    1        6.998   0.394  -0.093  0.00  0.00    -0.507 OA
ATOM     10  H   LIG    1        7.291   0.479  -1.015  0.00  0.00    +0.292 HD
ENDBRANCH   6   9
ENDBRANCH   1   3
BRANCH   1  11
ATOM     11  C   LIG    1        0.593  -0.045  -0.940  0.00  0.00    +0.136 C 
BRANCH  11  15
ATOM     12  C   LIG    1       -3.520  -0.272   0.399  0.00  0.00    -0.048 A 
ATOM     13  C   LIG    1       -2.819  -1.436   0.063  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -1.492  -1.366  -0.369  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -0.845  -0.129  -0.483  0.00  0.00    -0.030 A 
ATOM     16  C   LIG    1       -1.548   1.036  -0.144  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -2.874   0.966   0.288  0.00  0.00    +0.004 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -5.922  -0.259  -0.322  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1       -4.956  -0.346   0.850  0.00  0.00    +0.032 C 
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH   1  11
TORSDOF 5