REMARK  Name = BDB017042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.677  -0.438   0.966  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        2.080  -0.873   2.135  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.801  -0.991   1.865  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.535  -0.641   0.575  0.00  0.00    -0.336 N 
ATOM      5  C   LIG    1        1.717  -0.294  -0.020  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        6.093   0.173  -0.461  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.721  -0.082  -0.413  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        4.108  -0.174   0.830  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        4.802  -0.024   1.986  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        6.126   0.220   1.911  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.814   0.328   0.721  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        8.016   0.495  -1.867  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        6.824   0.285  -1.743  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.025   0.131  -2.814  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.636   0.225  -3.576  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -0.772  -0.645  -0.050  0.00  0.00    +0.127 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.479   0.701   0.103  0.00  0.00    +0.057 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.850   0.682  -0.539  0.00  0.00    -0.038 A 
ATOM     19  C   LIG    1       -4.001   0.163   0.122  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1       -5.238   0.155  -0.573  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -6.392  -0.351   0.048  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -6.347  -0.852   1.348  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.147  -0.851   2.044  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.311   0.653  -1.881  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -4.181   1.157  -2.518  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.991  -0.350   1.440  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -2.960   1.169  -1.854  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6