REMARK  Name = BDB012690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.661  -0.018  -1.205  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1       -1.853  -0.950  -0.217  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -0.622  -1.044   0.425  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -0.489  -1.934   1.513  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -1.595  -2.694   1.932  0.00  0.00    -0.050 A 
ATOM      6  C   LIG    1       -2.812  -2.581   1.251  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -1.451  -3.666   3.067  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        0.237  -0.132  -0.264  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1       -2.967  -1.706   0.170  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.412   0.478  -1.258  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1        1.532   0.040   0.098  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1        1.864  -0.521   0.886  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1        2.553   0.875  -0.414  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1        3.853   0.872   0.137  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1        4.854   1.705  -0.383  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1        4.538   2.526  -1.446  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        3.319   2.568  -2.008  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1        2.366   1.750  -1.485  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1        4.172  -0.020   1.283  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1        3.390  -0.783   1.827  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        5.447   0.076   1.700  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        5.509  -0.557   2.446  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  23
ATOM     23  C   LIG    1       -2.640   0.441  -2.172  0.00  0.00    +0.144 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.874   2.833  -1.333  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.579   1.517  -1.627  0.00  0.00    +0.020 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6