REMARK  Name = BDB007487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.083   0.784  -0.173  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.466   0.127   0.788  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.641  -0.742   1.469  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -1.047  -1.398   2.122  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.882   0.196   1.236  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -3.863   0.531   0.290  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -5.219   0.615   0.647  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -5.563   0.361   1.986  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.590   0.043   2.937  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.249  -0.036   2.566  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -6.246   0.961  -0.346  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -6.124   2.075  -1.180  0.00  0.00    +0.119 A 
ATOM     13  N   LIG    1       -7.034   2.450  -2.114  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1       -8.131   1.676  -2.233  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -8.361   0.550  -1.462  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -7.407   0.193  -0.511  0.00  0.00    +0.011 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        0.771  -0.902   1.131  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.994  -1.615  -0.214  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1        0.836  -0.721  -1.322  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        0.119  -0.089  -1.090  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.364  -2.338  -0.319  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.638  -1.620  -0.165  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        3.756  -0.439  -1.034  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.107   0.242  -0.920  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        5.928   0.038   0.205  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.157   0.705   0.300  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.557   1.589  -0.701  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.738   1.809  -1.806  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.513  -0.947   1.269  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        5.518   1.142  -1.915  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.017  -1.293   1.207  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7