REMARK  Name = BDB020978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.995   4.889   3.392  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -3.146   3.638   2.687  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -3.950   3.588   2.082  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -2.029   3.010   2.196  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -2.261   1.812   1.541  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -1.121   1.273   0.793  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -1.354  -0.104   0.286  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -2.473  -0.832   0.604  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -2.419  -2.031  -0.045  0.00  0.00    +0.116 A 
ATOM     10  N   LIG    1       -1.331  -2.106  -0.782  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -3.521  -0.322   1.458  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -0.644  -0.931  -0.565  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -3.579   1.196   1.343  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -0.903   3.479   2.338  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.616  -0.636  -1.222  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        1.690  -0.063  -0.519  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        2.902   0.213  -1.190  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        4.176   0.757  -0.860  0.00  0.00    +0.103 A 
ATOM     19  N   LIG    1        5.018   0.741  -1.902  0.00  0.00    -0.170 NA
ATOM     20  N   LIG    1        4.282   0.228  -2.902  0.00  0.00    -0.266 N 
ATOM     21  C   LIG    1        4.878   0.068  -4.207  0.00  0.00    +0.173 C 
ATOM     22  C   LIG    1        3.006  -0.122  -2.540  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        1.957  -0.708  -3.261  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        0.765  -0.960  -2.574  0.00  0.00    +0.012 A 
BRANCH  18  25
ATOM     25  C   LIG    1        4.600   1.264   0.442  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        5.886   1.350   0.928  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1        5.783   1.896   2.171  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        6.861   2.183   3.085  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        4.517   2.182   2.530  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        3.800   1.812   1.461  0.00  0.00    +0.144 A 
ENDBRANCH  18  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  C   LIG    1       -3.488  -3.157   0.045  0.00  0.00    +0.083 C 
ATOM     32  C   LIG    1       -3.102  -4.526  -0.561  0.00  0.00    +0.096 C 
ATOM     33  N   LIG    1       -4.506  -4.621  -1.063  0.00  0.00    -0.304 NA
ATOM     34  C   LIG    1       -4.518  -5.148  -2.425  0.00  0.00    +0.104 C 
ATOM     35  C   LIG    1       -4.547  -3.133  -1.081  0.00  0.00    +0.096 C 
ENDBRANCH   9  31
TORSDOF 3