REMARK  Name = BDB029440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.407   1.791  -1.022  0.00  0.00    +0.119 A 
ATOM      2  N   LIG    1        0.236   2.840  -1.845  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1       -1.030   3.231  -2.101  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1       -2.150   2.621  -1.566  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.976   1.537  -0.703  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -0.663   1.127  -0.432  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -3.128   0.853  -0.094  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -3.294  -0.536  -0.236  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -4.393  -1.124   0.355  0.00  0.00    +0.038 A 
ATOM     10  N   LIG    1       -4.748  -2.463   0.338  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -4.241  -3.205  -0.119  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.926  -2.682   1.044  0.00  0.00    +0.222 C 
ATOM     13  C   LIG    1       -6.396  -1.327   1.587  0.00  0.00    +0.133 C 
ATOM     14  O   LIG    1       -6.475  -3.760   1.197  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -5.334  -0.399   1.080  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1       -5.199   0.965   1.239  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -4.091   1.585   0.647  0.00  0.00    +0.009 A 
ENDBRANCH   5   7
BRANCH   1  18
ATOM     18  N   LIG    1        1.734   1.437  -0.771  0.00  0.00    -0.329 N 
ATOM     19  H   LIG    1        2.264   2.112  -1.325  0.00  0.00    +0.147 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.068   0.066  -1.143  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.567  -0.181  -0.944  0.00  0.00    +0.019 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.971  -0.169   0.535  0.00  0.00    +0.003 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.478  -0.337   0.755  0.00  0.00    +0.015 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.001  -1.712   0.338  0.00  0.00    +0.077 C 
BRANCH  24  25
ATOM     25  N   LIG    1        7.419  -1.850   0.653  0.00  0.00    -0.330 NA
ATOM     26  H   LIG    1        7.945  -1.107   0.195  0.00  0.00    +0.118 HD
ATOM     27  H   LIG    1        7.560  -1.713   1.654  0.00  0.00    +0.118 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 8