REMARK  Name = BDB046578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.362   1.077  -0.757  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -1.709   0.245  -1.678  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -0.319   0.290  -1.821  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.439   1.168  -1.038  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.210   2.017  -0.135  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.599   1.970   0.005  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.921   1.254  -1.152  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        2.569   0.111  -1.569  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.064  -0.763  -1.557  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.501   2.293  -0.853  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.012   0.021  -1.573  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.503  -0.738  -0.367  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        4.591  -0.101   0.879  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        5.024  -0.801   2.005  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        5.370  -2.147   1.898  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.280  -2.793   0.666  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.846  -2.094  -0.462  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -3.867   1.018  -0.607  0.00  0.00    +0.049 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.398  -0.017   0.404  0.00  0.00    +0.102 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.561   1.535   2.435  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1       -3.994   0.240   1.868  0.00  0.00    +0.011 C 
ENDBRANCH  19  21
BRANCH  19  22
ATOM     22  C   LIG    1       -4.066  -1.418  -0.076  0.00  0.00    +0.308 C 
ATOM     23  O   LIG    1       -4.376  -1.883  -1.163  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -3.371  -2.169   0.795  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -3.240  -3.021   0.329  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8