REMARK  Name = BDB046913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.346  -0.285  -0.779  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -4.165  -0.531  -0.572  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -3.199   0.517  -0.189  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.861   0.144   0.028  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -0.989   1.182   0.387  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1       -1.423   2.481   0.523  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1       -2.717   2.774   0.303  0.00  0.00    +0.114 A 
ATOM      8  N   LIG    1       -1.470  -1.205  -0.112  0.00  0.00    -0.233 NA
ATOM      9  C   LIG    1       -2.350  -2.082  -0.448  0.00  0.00    +0.200 A 
ATOM     10  C   LIG    1       -3.645   1.830  -0.056  0.00  0.00    +0.035 A 
ATOM     11  N   LIG    1       -3.659  -1.797  -0.680  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1       -4.312  -2.522  -0.940  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   5  13
ATOM     13  N   LIG    1        0.415   0.967   0.637  0.00  0.00    -0.220 N 
ATOM     14  N   LIG    1        1.204   2.022   1.018  0.00  0.00    -0.173 NA
ATOM     15  C   LIG    1        2.423   1.511   1.172  0.00  0.00    +0.138 A 
ATOM     16  C   LIG    1        2.479   0.135   0.896  0.00  0.00    -0.007 A 
ATOM     17  C   LIG    1        1.180  -0.183   0.559  0.00  0.00    +0.120 A 
BRANCH  16  18
ATOM     18  C   LIG    1        3.666  -0.767   0.953  0.00  0.00    +0.066 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.352  -0.933  -0.403  0.00  0.00    +0.160 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.615  -1.830  -1.229  0.00  0.00    -0.395 OA
ATOM     21  H   LIG    1        4.026  -1.807  -2.110  0.00  0.00    +0.209 HD
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   5  13
TORSDOF 4