REMARK  Name = BDB006896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.835  -0.907  -1.072  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.743  -1.425  -1.752  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.614  -1.575  -1.408  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.314  -2.103  -2.492  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        2.667  -2.335  -2.375  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.348  -2.081  -1.241  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        2.655  -1.581  -0.185  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        0.431  -2.318  -3.691  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        0.514  -3.747  -4.233  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.762  -1.306  -4.794  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.284  -1.315  -0.227  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.957  -2.034  -3.077  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -2.970  -1.047  -1.544  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.594  -0.163   0.249  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.908  -0.126   1.171  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.722   0.651   0.736  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -3.055   1.786  -0.132  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -4.263   2.598   0.410  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -4.521   3.820  -0.474  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -5.507   1.818   0.544  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -6.154   2.032  -0.212  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -5.250   0.371   0.554  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -3.967  -0.188   2.721  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.167   1.010   4.744  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -4.088   1.097   3.330  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        3.446  -1.297   1.071  0.00  0.00    +0.059 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.727   0.205   1.291  0.00  0.00    -0.005 C 
ATOM     28  C   LIG    1        4.368   0.444   2.675  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        5.887   0.549   2.600  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        6.332   1.713   1.714  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        5.344   2.033   0.590  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        4.580   0.792   0.146  0.00  0.00    +0.004 C 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6