REMARK  Name = BDB028575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.642   1.861   0.015  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        1.407   0.671  -0.279  0.00  0.00    -0.448 OA
BRANCH   2   9
ATOM      3  C   LIG    1        6.253   1.714  -0.774  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        6.307   0.509   0.133  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1        5.369  -0.497  -0.087  0.00  0.00    -0.300 N 
ATOM      6  C   LIG    1        4.313  -0.390  -1.106  0.00  0.00    +0.127 C 
ATOM      7  C   LIG    1        3.093  -1.310  -0.938  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1        2.487  -1.219   0.390  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1        1.714  -0.136   0.772  0.00  0.00    +0.403 C 
ATOM     10  O   LIG    1        1.331   0.069   1.917  0.00  0.00    -0.226 OA
ATOM     11  C   LIG    1        3.027  -2.094   1.421  0.00  0.00    +0.112 C 
ATOM     12  C   LIG    1        4.424  -1.685   1.881  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        5.446  -1.701   0.744  0.00  0.00    +0.109 C 
ATOM     14  O   LIG    1        7.153   0.451   1.026  0.00  0.00    -0.276 OA
ENDBRANCH   2   9
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.831   1.661  -0.368  0.00  0.00    +0.166 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.875   1.256  -1.748  0.00  0.00    -0.387 OA
ATOM     17  H   LIG    1       -0.263   0.502  -1.831  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -1.536   0.611   0.526  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.016   0.661   0.503  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.563   0.447  -0.852  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -5.065   0.234  -0.894  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -5.787  -0.101   0.264  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -7.171  -0.310   0.188  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -7.831  -0.215  -1.037  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.116   0.096  -2.191  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.080  -0.169   1.591  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -5.740   0.318  -2.121  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.566  -0.342   1.431  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6