REMARK  Name = BDB029577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.364   0.657  -1.874  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.478  -0.447  -1.347  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1        0.504  -1.437  -1.470  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.486  -2.542  -0.517  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        1.875  -3.137  -0.316  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        2.865  -2.051  -0.001  0.00  0.00    -0.034 A 
ATOM      7  C   LIG    1        4.010  -2.319   0.753  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        4.940  -1.305   1.007  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        4.756  -0.010   0.510  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        3.613   0.247  -0.258  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        2.673  -0.761  -0.513  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        5.688   1.024   0.712  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        5.303   1.956   0.591  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        7.083   1.001   0.875  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        7.901  -0.061   0.513  0.00  0.00    +0.158 A 
ATOM     16  N   LIG    1        9.239  -0.088   0.722  0.00  0.00    -0.156 NA
ATOM     17  N   LIG    1        9.836   0.969   1.323  0.00  0.00    -0.158 NA
ATOM     18  C   LIG    1        9.082   2.021   1.699  0.00  0.00    +0.137 A 
ATOM     19  C   LIG    1        7.715   2.075   1.497  0.00  0.00    +0.046 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   3  20
ATOM     20  C   LIG    1       -0.735  -1.130  -2.200  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.703  -0.220  -1.405  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.297   1.151  -1.513  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -0.321   1.172  -1.621  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.143  -0.377  -1.960  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.268   0.228  -1.222  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.476  -0.372   0.103  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.626   0.254   0.868  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.088   1.543   0.542  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.130   2.117   1.282  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -7.693   1.428   2.356  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.225   0.160   2.694  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.506   2.274  -0.643  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.194  -0.424   1.956  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.162   1.687  -1.099  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7