REMARK  Name = BDB012905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.160  -1.330  -0.207  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.385  -0.188  -0.289  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.039  -0.294  -0.576  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.530   1.156  -0.674  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.584   1.888   0.274  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.745   1.183   0.037  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.636  -2.441  -0.298  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.768  -0.811   0.230  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -4.615  -2.094   0.576  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.304  -2.321   0.398  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.939  -3.254   0.564  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.584  -1.222   0.004  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.531  -0.228  -0.142  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.091  -0.815  -0.724  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.119  -0.154   0.255  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -6.710  -0.123   1.665  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.921   1.334  -0.318  0.00  0.00    -0.309 N 
ATOM     18  H   LIG    1        3.191   1.331   0.664  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.927   0.931  -1.176  0.00  0.00    +0.242 C 
ATOM     20  O   LIG    1        3.725   0.575  -2.333  0.00  0.00    -0.273 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.320   1.035  -0.543  0.00  0.00    +0.204 C 
ATOM     22  O   LIG    1        5.262   0.757   0.873  0.00  0.00    -0.367 OA
ATOM     23  C   LIG    1        6.227  -0.262   1.169  0.00  0.00    +0.161 C 
ATOM     24  C   LIG    1        7.211  -0.258   0.023  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1        6.318   0.061  -1.149  0.00  0.00    +0.043 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4