REMARK  Name = BDB014823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.162   0.546   0.069  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1        0.030   1.462  -0.312  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -1.427   5.840   1.298  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -2.683   5.214   1.853  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -2.776   3.828   1.805  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -1.857   3.005   0.989  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -1.925   1.576   1.390  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.163   0.447   0.980  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.591  -0.655   1.609  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.588  -0.246   2.411  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -3.255  -1.212   3.250  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -2.840   1.082   2.296  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -3.863   1.893   2.997  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -4.054   3.212   2.220  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -3.564   5.927   2.333  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.718  -0.421  -0.467  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        0.711  -1.770  -0.104  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        1.610  -2.683  -0.673  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        2.549  -2.279  -1.631  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        2.556  -0.928  -2.000  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.658  -0.017  -1.428  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.492  -3.237  -2.225  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.286  -4.074  -1.439  0.00  0.00    +0.120 A 
ATOM     24  N   LIG    1        5.173  -4.980  -1.921  0.00  0.00    -0.244 NA
ATOM     25  C   LIG    1        5.285  -5.066  -3.267  0.00  0.00    +0.140 A 
ATOM     26  C   LIG    1        4.547  -4.283  -4.144  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        3.644  -3.361  -3.612  0.00  0.00    +0.013 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.228  -6.031  -3.764  0.00  0.00    +0.119 C 
ATOM     29  N   LIG    1        6.980  -6.798  -4.210  0.00  0.00    -0.189 NA
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 4