REMARK  Name = BDB007521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.115  -3.670   0.808  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.276  -2.475   0.589  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.734  -1.829  -0.502  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.848  -0.831  -0.607  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.037  -1.631   1.553  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.687  -0.453   1.163  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -3.372   0.337   2.104  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1       -3.418  -0.093   3.438  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -2.793  -1.279   3.827  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.106  -2.047   2.887  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.082   1.605   1.690  0.00  0.00    +0.084 C 
ATOM     12  N   LIG    1       -3.277   2.424   0.771  0.00  0.00    -0.309 NA
ATOM     13  H   LIG    1       -2.606   2.979   1.298  0.00  0.00    +0.123 HD
ATOM     14  C   LIG    1       -4.238   3.280   0.081  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -5.378   2.330  -0.230  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1       -5.391   1.349   0.938  0.00  0.00    +0.025 C 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1       -0.012  -2.541  -1.541  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.272  -3.261  -1.100  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.030  -3.602  -2.278  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        2.679  -2.873  -2.372  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.206  -2.490  -0.138  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.039  -1.465  -0.821  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        2.337  -0.164  -0.881  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        3.196   0.978  -1.385  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.598   0.902  -1.339  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        5.371   1.982  -1.787  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.755   3.142  -2.255  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.366   3.230  -2.282  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.264  -0.366  -0.873  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        2.589   2.156  -1.846  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.309  -1.277  -0.090  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7