REMARK  Name = BDB029548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.716  -0.037   0.236  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        2.583  -0.858   0.179  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        1.552  -0.599  -0.734  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        0.340  -1.468  -0.732  0.00  0.00    +0.247 C 
ATOM      5  N   LIG    1       -0.545  -1.317  -1.797  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1       -0.177  -0.519  -2.961  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1        0.515   0.778  -2.561  0.00  0.00    +0.055 C 
ATOM      8  O   LIG    1        0.155  -2.254   0.192  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.650   0.481  -1.622  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1        2.785   1.296  -1.579  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        3.813   1.025  -0.670  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        4.759  -0.376   1.126  0.00  0.00    -0.338 N 
ATOM     13  H   LIG    1        4.396  -0.862   1.945  0.00  0.00    +0.146 HD
BRANCH  12  18
ATOM     14  C   LIG    1        9.970  -0.240   0.138  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        9.232  -0.392   1.441  0.00  0.00    +0.213 C 
ATOM     16  N   LIG    1        7.954   0.101   1.446  0.00  0.00    -0.298 N 
ATOM     17  C   LIG    1        6.900  -0.250   2.390  0.00  0.00    +0.131 C 
ATOM     18  C   LIG    1        5.921   0.425   1.406  0.00  0.00    +0.105 C 
ATOM     19  C   LIG    1        7.030   0.302   0.338  0.00  0.00    +0.131 C 
ATOM     20  O   LIG    1        9.746  -0.928   2.419  0.00  0.00    -0.276 OA
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  C   LIG    1       -1.755  -2.141  -1.857  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.055  -1.381  -1.508  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -3.353  -0.437  -2.549  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -3.591  -0.950  -3.340  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -2.965  -0.665  -0.136  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.214  -0.180   0.485  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -4.902   0.845  -0.313  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.167   1.356   0.351  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.832   0.584   1.321  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -8.021   1.058   1.893  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.560   2.277   1.485  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.915   3.035   0.510  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.228  -0.715   1.794  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -6.726   2.576  -0.057  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -5.146  -1.251   0.844  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 7