REMARK  Name = BDB012697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.407  -0.032  -0.553  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1       -1.483  -1.077   0.343  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.157  -1.267   0.748  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        0.146  -2.285   1.676  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.880  -3.088   2.171  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.193  -2.883   1.758  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        0.612  -0.286   0.050  0.00  0.00    +0.153 A 
ATOM      8  C   LIG    1       -2.546  -1.869   0.841  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1       -3.990  -1.730   0.450  0.00  0.00    +0.046 C 
ATOM     10  N   LIG    1       -0.166   0.455  -0.734  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1        1.954  -0.181   0.211  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1        2.390  -0.841   0.859  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1        2.908   0.696  -0.358  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1        4.279   0.607  -0.030  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1        5.211   1.483  -0.604  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1        4.757   2.432  -1.496  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        3.466   2.560  -1.843  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1        2.582   1.698  -1.272  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1        4.746  -0.424   0.934  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1        4.037  -1.239   1.500  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        6.073  -0.393   1.150  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        6.233  -1.115   1.795  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   7  11
BRANCH   1  23
ATOM     23  C   LIG    1       -2.476   0.593  -1.311  0.00  0.00    +0.144 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.218   2.407  -1.366  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.065   1.800  -0.585  0.00  0.00    +0.020 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6