REMARK  Name = BDB029602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.948   0.702   0.289  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.416  -0.438   0.400  0.00  0.00    +0.269 C 
ATOM      3  N   LIG    1       -0.551  -1.500   0.691  0.00  0.00    -0.290 N 
ATOM      4  C   LIG    1       -0.944  -2.897   0.631  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -2.136  -3.154   1.527  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -3.345  -3.006   0.802  0.00  0.00    -0.488 OA
ATOM      7  C   LIG    1       -3.678  -1.757   0.379  0.00  0.00    +0.151 A 
ATOM      8  C   LIG    1       -5.037  -1.676   0.053  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -5.598  -0.485  -0.397  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.789   0.626  -0.512  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1       -3.476   0.559  -0.243  0.00  0.00    -0.224 NA
ATOM     12  C   LIG    1       -2.909  -0.612   0.198  0.00  0.00    +0.169 A 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1       -5.246   1.864  -0.966  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -4.439   2.484  -1.019  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -6.450   2.550  -0.738  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1       -7.420   2.174   0.182  0.00  0.00    +0.158 A 
ATOM     17  N   LIG    1       -8.590   2.834   0.352  0.00  0.00    -0.156 NA
ATOM     18  N   LIG    1       -8.853   3.925  -0.407  0.00  0.00    -0.158 NA
ATOM     19  C   LIG    1       -7.941   4.328  -1.313  0.00  0.00    +0.137 A 
ATOM     20  C   LIG    1       -6.739   3.673  -1.508  0.00  0.00    +0.046 A 
ENDBRANCH  13  15
ENDBRANCH  10  13
BRANCH   3  21
ATOM     21  C   LIG    1        0.895  -1.219   0.645  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.463  -1.313  -0.780  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        1.593  -2.702  -1.147  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        2.501  -2.940  -0.865  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        2.845  -0.639  -0.943  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.919  -1.443  -0.308  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        4.293  -0.923   1.026  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        5.147   0.328   1.018  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        5.910   0.678  -0.110  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        6.715   1.824  -0.078  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        6.782   2.606   1.075  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.042   2.252   2.200  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.813  -0.139  -1.373  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        5.231   1.117   2.174  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        5.135  -1.498  -1.145  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7