REMARK  Name = BDB007051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.822  -0.532  -0.964  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.188   0.614  -0.950  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.769   1.063  -2.146  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -1.726   2.077  -2.201  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -2.132   2.671  -0.992  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.094   3.688  -1.053  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -3.612   4.076  -2.283  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -3.150   3.433  -3.417  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -1.577   2.238   0.223  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -2.223   2.449  -3.401  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -0.621   1.220   0.241  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1       -0.392   0.484  -3.340  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1       -0.948   0.941  -4.009  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     14  C   LIG    1        4.370  -0.218   1.587  0.00  0.00    +0.161 A 
ATOM     15  C   LIG    1        3.820  -1.464   1.269  0.00  0.00    +0.159 A 
ATOM     16  C   LIG    1        2.685  -1.570   0.460  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        2.039  -0.422  -0.032  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1        2.628   0.823   0.254  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.768   0.926   1.063  0.00  0.00    +0.050 A 
BRANCH  14  21
ATOM     20  C   LIG    1        6.069   1.023   2.707  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.479  -0.229   2.390  0.00  0.00    -0.491 OA
ENDBRANCH  14  21
BRANCH  15  22
ATOM     22  O   LIG    1        4.410  -2.602   1.755  0.00  0.00    -0.503 OA
ATOM     23  H   LIG    1        3.938  -3.373   1.404  0.00  0.00    +0.292 HD
ENDBRANCH  15  22
ENDBRANCH   1  17
BRANCH   1  24
ATOM     24  N   LIG    1        0.156  -1.847  -0.902  0.00  0.00    -0.318 N 
ATOM     25  H   LIG    1       -0.318  -2.005  -1.793  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -0.847  -2.094   0.024  0.00  0.00    +0.120 A 
ATOM     27  N   LIG    1       -2.013  -2.506  -0.512  0.00  0.00    -0.237 NA
ATOM     28  C   LIG    1       -3.047  -2.787   0.317  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1       -4.332  -3.227  -0.316  0.00  0.00    +0.065 C 
ATOM     30  C   LIG    1       -2.949  -2.684   1.698  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -1.738  -2.282   2.244  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -0.673  -1.988   1.397  0.00  0.00    +0.043 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7