REMARK  Name = BDB065395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.069   1.696   0.507  0.00  0.00    +0.103 A 
ATOM      2  N   LIG    1       -2.296   1.703   1.640  0.00  0.00    -0.133 NA
ATOM      3  N   LIG    1       -1.023   1.661   1.272  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1       -0.992   1.615  -0.071  0.00  0.00    -0.251 N 
ATOM      5  C   LIG    1       -2.246   1.649  -0.598  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -4.552   1.717   0.594  0.00  0.00    +0.186 C 
BRANCH   6  11
ATOM      7  C   LIG    1       -5.916  -2.136   0.448  0.00  0.00    +0.218 A 
ATOM      8  N   LIG    1       -5.845  -1.490  -0.664  0.00  0.00    -0.159 NA
ATOM      9  C   LIG    1       -5.376  -0.210  -0.668  0.00  0.00    +0.353 A 
ATOM     10  O   LIG    1       -5.239   0.410  -1.721  0.00  0.00    -0.244 OA
ATOM     11  N   LIG    1       -5.056   0.359   0.538  0.00  0.00    -0.277 N 
ATOM     12  C   LIG    1       -5.114  -0.414   1.648  0.00  0.00    +0.207 A 
ATOM     13  N   LIG    1       -5.521  -1.630   1.641  0.00  0.00    -0.205 NA
BRANCH   7  14
ATOM     14  N   LIG    1       -6.385  -3.406   0.452  0.00  0.00    -0.327 N 
ATOM     15  H   LIG    1       -6.318  -3.852  -0.453  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -6.029  -3.955   1.222  0.00  0.00    +0.145 HD
ENDBRANCH   7  14
ENDBRANCH   6  11
ENDBRANCH   1   6
BRANCH   4  17
ATOM     17  C   LIG    1        0.268   1.547  -0.776  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.634   0.135  -1.236  0.00  0.00    +0.024 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.827  -0.896  -0.114  0.00  0.00    +0.006 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.906  -0.554   0.921  0.00  0.00    +0.035 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.289  -0.381   0.340  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1        3.940  -1.450  -0.291  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        5.219  -1.286  -0.828  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        5.868  -0.050  -0.736  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1        5.229   1.020  -0.099  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        3.949   0.852   0.438  0.00  0.00    +0.004 A 
BRANCH  24  27
ATOM     27  C   LIG    1        7.224   0.078  -1.321  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        7.843  -0.804  -1.887  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        7.744   1.310  -1.173  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        8.626   1.243  -1.596  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 10