REMARK  Name = BDB030632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.826   1.036   0.228  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -0.900   1.470  -0.883  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1        0.566   1.184  -0.820  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1        0.652  -0.273  -0.827  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        1.805  -1.048  -0.761  0.00  0.00    +0.267 C 
ATOM      6  O   LIG    1        1.723  -2.279  -0.811  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -0.631  -0.926  -1.025  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1       -1.633   0.179  -1.002  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   1  16
ATOM      9  C   LIG    1       -5.955  -0.343   1.542  0.00  0.00    +0.137 A 
ATOM     10  C   LIG    1       -4.689  -0.077   1.185  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1       -4.358   1.227   0.831  0.00  0.00    -0.283 N 
ATOM     12  C   LIG    1       -5.260   2.281   0.844  0.00  0.00    +0.161 A 
ATOM     13  N   LIG    1       -4.657   3.382   0.453  0.00  0.00    -0.129 NA
ATOM     14  N   LIG    1       -3.341   3.068   0.182  0.00  0.00    -0.133 NA
ATOM     15  C   LIG    1       -6.590   2.002   1.264  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1       -3.175   1.782   0.410  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1       -6.926   0.742   1.609  0.00  0.00    +0.051 A 
BRANCH   9  19
ATOM     18  C   LIG    1       -7.130  -2.247   0.948  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -6.362  -1.587   1.955  0.00  0.00    -0.494 OA
ENDBRANCH   9  19
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  C   LIG    1        3.133  -0.403  -0.630  0.00  0.00    +0.147 A 
ATOM     21  N   LIG    1        3.358   0.925  -0.597  0.00  0.00    -0.169 NA
ATOM     22  N   LIG    1        4.688   1.045  -0.472  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1        5.081   1.980  -0.426  0.00  0.00    +0.189 HD
ATOM     24  C   LIG    1        5.352  -0.147  -0.425  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        4.368  -1.106  -0.526  0.00  0.00    +0.057 A 
BRANCH  24  26
ATOM     26  C   LIG    1        6.840  -0.234  -0.289  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1        7.231  -0.955   1.001  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        7.460  -0.925  -1.504  0.00  0.00    +0.014 C 
ENDBRANCH  24  26
ENDBRANCH   5  20
TORSDOF 4