REMARK  Name = BDB028543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.518   0.246  -1.122  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.264  -0.902  -1.954  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1        0.873  -1.587  -1.607  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -0.350   0.142   0.134  0.00  0.00    +0.138 C 
BRANCH   4  13
ATOM      5  O   LIG    1       -2.398   0.385   1.968  0.00  0.00    -0.253 OA
ATOM      6  C   LIG    1       -2.704   0.299   0.782  0.00  0.00    +0.302 C 
ATOM      7  N   LIG    1       -4.014   0.274   0.339  0.00  0.00    -0.283 N 
ATOM      8  C   LIG    1       -5.080   0.258   1.339  0.00  0.00    +0.140 C 
ATOM      9  C   LIG    1       -6.318  -0.488   0.833  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -6.873   0.147  -0.445  0.00  0.00    +0.034 C 
ATOM     11  C   LIG    1       -5.825   0.938  -1.229  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1       -4.419   0.370  -1.066  0.00  0.00    +0.109 C 
ATOM     13  N   LIG    1       -1.762   0.224  -0.210  0.00  0.00    -0.297 N 
ATOM     14  H   LIG    1       -2.020  -0.351  -1.000  0.00  0.00    +0.150 HD
BRANCH   9  15
ATOM     15  O   LIG    1       -7.348  -0.515   1.818  0.00  0.00    -0.390 OA
ATOM     16  H   LIG    1       -6.984  -0.946   2.611  0.00  0.00    +0.210 HD
ENDBRANCH   9  15
ENDBRANCH   4  13
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1        2.032   0.328  -0.829  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.562  -0.972  -0.355  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        3.848  -1.309  -1.002  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        5.035  -0.513  -0.510  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        5.045   0.037   0.783  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        6.174   0.733   1.235  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        7.294   0.867   0.415  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.294   0.309  -0.861  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.826  -0.070   1.665  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        6.172  -0.382  -1.321  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        2.752  -1.021   1.109  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6