REMARK  Name = BDB031182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.388  -0.706  -1.309  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -1.185   0.406  -1.107  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.394   1.162   0.127  0.00  0.00    +0.144 C 
ATOM      4  C   LIG    1       -1.947   2.508  -0.342  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -2.707   2.156  -1.617  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.839   1.059  -2.235  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -0.386  -1.262  -2.410  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.361   0.444   1.026  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1       -3.234  -0.525   0.587  0.00  0.00    -0.347 N 
ATOM     10  H   LIG    1       -3.304  -0.858  -0.366  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1       -3.950  -0.966   1.663  0.00  0.00    +0.104 A 
ATOM     12  C   LIG    1       -3.477  -0.240   2.728  0.00  0.00    +0.130 A 
ATOM     13  N   LIG    1       -2.493   0.625   2.326  0.00  0.00    -0.239 NA
ENDBRANCH   3   8
BRANCH   5  14
ATOM     14  O   LIG    1       -2.833   3.280  -2.470  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -3.302   3.977  -1.978  0.00  0.00    +0.210 HD
ENDBRANCH   5  14
BRANCH   1  16
ATOM     16  C   LIG    1        0.446  -1.246  -0.128  0.00  0.00    +0.146 C 
BRANCH  16  20
ATOM     17  C   LIG    1        3.176   0.981   0.909  0.00  0.00    +0.255 A 
ATOM     18  N   LIG    1        3.204   1.113  -0.419  0.00  0.00    -0.040 NA
ATOM     19  O   LIG    1        2.197   0.283  -0.886  0.00  0.00    -0.355 OA
ATOM     20  C   LIG    1        1.579  -0.320   0.171  0.00  0.00    +0.153 A 
ATOM     21  C   LIG    1        2.175   0.099   1.339  0.00  0.00    +0.115 A 
BRANCH  17  23
ATOM     22  C   LIG    1        4.968   2.466   1.025  0.00  0.00    +0.279 C 
ATOM     23  O   LIG    1        4.029   1.650   1.715  0.00  0.00    -0.478 OA
ENDBRANCH  17  23
ENDBRANCH  16  20
BRANCH  16  24
ATOM     24  C   LIG    1        0.910  -2.712  -0.361  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        1.253  -3.403   0.966  0.00  0.00    +0.008 C 
ATOM     26  C   LIG    1        2.088  -2.868  -1.332  0.00  0.00    +0.008 C 
ENDBRANCH  16  24
ENDBRANCH   1  16
TORSDOF 6