REMARK  Name = BDB029456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.282  -1.205  -0.276  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.087  -1.529  -0.432  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1        0.469  -2.841  -0.764  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1       -0.498  -3.821  -0.997  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -1.854  -3.498  -0.908  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -2.237  -2.198  -0.561  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        1.134  -0.487  -0.209  0.00  0.00    +0.268 C 
ATOM      8  N   LIG    1        2.297  -0.639  -0.942  0.00  0.00    -0.191 N 
ATOM      9  H   LIG    1        2.240  -1.113  -1.837  0.00  0.00    +0.183 HD
ATOM     10  O   LIG    1        0.908   0.440   0.564  0.00  0.00    -0.268 OA
BRANCH   8  11
ATOM     11  O   LIG    1        3.091   0.538  -0.983  0.00  0.00    -0.279 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.180   0.387  -0.067  0.00  0.00    +0.193 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.038   1.608  -0.154  0.00  0.00    +0.017 C 
ATOM     14  C   LIG    1        6.496   1.552   0.225  0.00  0.00    +0.006 C 
ATOM     15  C   LIG    1        6.101   1.729  -1.216  0.00  0.00    +0.006 C 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   1  16
ATOM     16  N   LIG    1       -1.701   0.123   0.015  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1       -0.905   0.668   0.382  0.00  0.00    +0.152 HD
BRANCH  16  20
ATOM     18  C   LIG    1       -2.890   2.644  -0.697  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1       -3.444   1.786   0.407  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1       -2.868   0.534   0.708  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -3.384  -0.210   1.781  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -4.490   0.241   2.504  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1       -5.075   1.460   2.177  0.00  0.00    +0.014 A 
ATOM     24  I   LIG    1       -6.719   2.139   3.252  0.00  0.00    -0.044 I 
ATOM     25  C   LIG    1       -4.556   2.235   1.140  0.00  0.00    +0.019 A 
ENDBRANCH  16  20
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -2.849  -4.496  -1.172  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1       -3.644  -5.313  -1.387  0.00  0.00    -0.191 NA
ENDBRANCH   5  26
TORSDOF 7