REMARK  Name = BDB012369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.665   0.876  -0.679  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.952   1.162  -0.212  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        2.098   2.497   0.055  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.908   3.027  -0.213  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.015   2.079  -0.668  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        3.041   0.250  -0.001  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        2.860  -1.075  -0.251  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        3.898  -1.911  -0.042  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.132  -1.495   0.414  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.309  -0.137   0.670  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        4.254   0.754   0.463  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.633   0.310   1.160  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        7.593  -0.410   1.362  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        6.691   1.635   1.373  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.605   1.790   1.690  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.308  -0.370  -1.020  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.036  -0.580  -1.462  0.00  0.00    +0.266 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -3.393  -0.308  -0.470  0.00  0.00    -0.040 A 
ATOM     19  C   LIG    1       -2.036  -0.688  -0.318  0.00  0.00    -0.007 A 
ATOM     20  C   LIG    1       -1.605  -1.242   0.904  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -2.478  -1.380   1.982  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -3.805  -0.979   1.851  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1       -4.256  -0.450   0.635  0.00  0.00    +0.023 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -5.390   0.462  -1.950  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -3.888   0.251  -1.792  0.00  0.00    +0.032 C 
ENDBRANCH  18  25
BRANCH  22  26
ATOM     26  C   LIG    1       -4.709  -1.113   2.956  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1       -5.445  -1.220   3.847  0.00  0.00    -0.191 NA
ENDBRANCH  22  26
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8