REMARK  Name = BDB015781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.532  -2.724   0.603  0.00  0.00    +0.320 A 
ATOM      2  N   LIG    1       -1.696  -2.069   0.617  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.683  -0.812   0.139  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.532  -0.225  -0.349  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.621  -0.979  -0.300  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.637  -2.231   0.168  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.997  -0.119   0.126  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.083   1.194   0.419  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -4.292   1.875   0.426  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.289   3.293   0.751  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -5.505   1.249   0.145  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -6.600   1.803   0.130  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -5.423  -0.203  -0.151  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -4.239  -0.828  -0.151  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  C   LIG    1        0.632  -4.715   0.974  0.00  0.00    +0.280 C 
ATOM     16  O   LIG    1       -0.593  -4.007   1.102  0.00  0.00    -0.466 OA
ENDBRANCH   1  16
BRANCH   5  17
ATOM     17  N   LIG    1        1.843  -0.496  -0.776  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        2.500  -1.265  -0.640  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.313   0.711  -0.108  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.726   0.997  -0.531  0.00  0.00    -0.012 A 
ATOM     21  C   LIG    1        4.000   1.523  -1.790  0.00  0.00    +0.115 A 
ATOM     22  N   LIG    1        5.243   1.811  -2.239  0.00  0.00    -0.263 NA
ATOM     23  C   LIG    1        6.267   1.546  -1.402  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        6.106   1.009  -0.135  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        4.815   0.729   0.304  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 5