REMARK  Name = BDB001874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.103  -1.222  -0.460  0.00  0.00    +0.181 A 
ATOM      2  N   LIG    1        0.045   0.096  -0.209  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -1.151   0.595   0.102  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -2.267  -0.151   0.124  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -2.204  -1.463  -0.168  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -0.996  -2.045  -0.462  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.248   1.936   0.385  0.00  0.00    -0.300 N 
ATOM      8  C   LIG    1       -0.064   2.670   0.810  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1       -0.607   3.725   1.777  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -2.066   3.875   1.371  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1       -2.456   2.446   1.006  0.00  0.00    +0.108 C 
ENDBRANCH   3   7
BRANCH   5  12
ATOM     12  N   LIG    1       -3.369  -2.198  -0.124  0.00  0.00    -0.315 N 
ATOM     13  C   LIG    1       -3.572  -3.431  -0.876  0.00  0.00    +0.106 C 
ATOM     14  C   LIG    1       -5.078  -3.471  -1.140  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -5.662  -2.628  -0.017  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -4.633  -1.512   0.129  0.00  0.00    +0.106 C 
ENDBRANCH   5  12
BRANCH   1  18
ATOM     17  N   LIG    1        2.145  -1.635   0.185  0.00  0.00    -0.181 NA
ATOM     18  N   LIG    1        1.369  -1.742  -0.790  0.00  0.00    -0.134 NA
BRANCH  17  19
ATOM     19  C   LIG    1        3.546  -1.923  -0.165  0.00  0.00    +0.201 C 
BRANCH  19  23
ATOM     20  C   LIG    1        6.103   1.547   0.116  0.00  0.00    +0.158 A 
ATOM     21  C   LIG    1        4.817   1.671  -0.405  0.00  0.00    +0.159 A 
ATOM     22  C   LIG    1        3.985   0.555  -0.494  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        4.431  -0.700  -0.048  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1        5.734  -0.814   0.462  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        6.566   0.306   0.549  0.00  0.00    +0.049 A 
BRANCH  20  26
ATOM     26  O   LIG    1        6.905   2.651   0.196  0.00  0.00    -0.503 OA
ATOM     27  H   LIG    1        7.754   2.396   0.588  0.00  0.00    +0.292 HD
ENDBRANCH  20  26
BRANCH  21  28
ATOM     28  O   LIG    1        4.373   2.892  -0.830  0.00  0.00    -0.503 OA
ATOM     29  H   LIG    1        3.469   2.791  -1.167  0.00  0.00    +0.292 HD
ENDBRANCH  21  28
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  18
TORSDOF 7