REMARK  Name = BDB004677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.094  -0.053  -0.874  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.240  -0.481  -0.171  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.481  -0.292  -0.811  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.640  -0.700  -0.117  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.562  -1.286   1.162  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.335  -1.482   1.774  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.535   0.257  -2.045  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.382   0.599  -2.632  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.183  -1.084   1.111  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        1.165   0.469  -2.107  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        6.023  -0.551  -0.671  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        7.010  -0.926  -0.046  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        6.175   0.017  -1.901  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        7.102   0.104  -2.291  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        5.367   0.312  -2.442  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.177  -0.201  -0.281  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.175   0.242   0.633  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.296   0.282  -1.082  0.00  0.00    +0.138 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -4.368   1.034   1.069  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1       -3.199   1.197   0.318  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -2.569   0.100  -0.288  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1       -3.123  -1.176  -0.119  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.288  -1.344   0.627  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -4.911  -0.242   1.219  0.00  0.00    +0.045 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -6.070   2.082   2.355  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.871   2.191   1.597  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5