REMARK  Name = BDB021425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.781   2.139   1.142  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.992   1.076   0.553  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.054   0.262   0.130  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.154  -0.952  -0.637  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        0.976  -0.640  -1.873  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        2.360  -0.841  -1.637  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        2.967  -0.174  -0.611  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        4.356  -0.436  -0.606  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1        5.227   0.126   0.334  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        4.680   0.964   1.303  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        3.306   1.229   1.315  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        2.422   0.666   0.367  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        6.672  -0.183   0.315  0.00  0.00    -0.042 C 
ATOM     14  C   LIG    1        7.098  -1.610   0.054  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1        8.568  -1.851   0.432  0.00  0.00    +0.086 C 
ATOM     16  N   LIG    1        9.442  -0.794  -0.089  0.00  0.00    -0.312 NA
ATOM     17  H   LIG    1        9.304  -0.726  -1.098  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        9.082   0.498   0.499  0.00  0.00    +0.108 C 
ATOM     19  C   LIG    1        7.605   0.767   0.523  0.00  0.00    -0.008 C 
ENDBRANCH   9  13
BRANCH   3  20
ATOM     20  C   LIG    1       -1.439   0.734   0.300  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.081   1.253  -1.008  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.276   2.295  -1.576  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -1.723   2.625  -2.373  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.507   1.794  -0.751  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.460   0.788  -0.254  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.639   1.463   0.333  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.748   0.516   0.739  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.829  -0.778   0.197  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.883  -1.625   0.566  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.866  -1.181   1.449  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.800   0.108   1.974  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.747  -1.272  -0.727  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -7.749   0.954   1.619  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.906  -0.130  -1.315  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6