REMARK  Name = BDB002956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.675  -3.223   0.729  0.00  0.00    +0.175 C 
ATOM      2  N   LIG    1       -0.456  -1.845   0.315  0.00  0.00    -0.246 N 
ATOM      3  C   LIG    1       -1.515  -0.981   0.133  0.00  0.00    +0.186 A 
ATOM      4  C   LIG    1       -1.118   0.415  -0.199  0.00  0.00    +0.174 A 
ATOM      5  C   LIG    1       -2.198   1.411  -0.496  0.00  0.00    +0.284 A 
ATOM      6  N   LIG    1       -3.473   0.885  -0.445  0.00  0.00    -0.261 N 
ATOM      7  C   LIG    1       -3.767  -0.385   0.037  0.00  0.00    +0.353 A 
ATOM      8  O   LIG    1       -4.926  -0.698   0.299  0.00  0.00    -0.244 OA
ATOM      9  C   LIG    1       -4.583   1.787  -0.682  0.00  0.00    +0.157 C 
ATOM     10  O   LIG    1       -1.920   2.578  -0.734  0.00  0.00    -0.265 OA
ATOM     11  N   LIG    1        0.130   0.765  -0.238  0.00  0.00    -0.216 NA
ATOM     12  C   LIG    1        1.099  -0.178   0.039  0.00  0.00    +0.199 A 
ATOM     13  N   LIG    1       -2.763  -1.296   0.229  0.00  0.00    -0.172 NA
ATOM     14  N   LIG    1        0.849  -1.431   0.309  0.00  0.00    -0.148 NA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        2.527   0.305   0.020  0.00  0.00    +0.110 A 
ATOM     16  N   LIG    1        2.730   1.622  -0.253  0.00  0.00    -0.252 NA
ATOM     17  C   LIG    1        4.007   2.057  -0.270  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        5.101   1.243  -0.027  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.876  -0.101   0.250  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.569  -0.583   0.275  0.00  0.00    +0.031 A 
ENDBRANCH  12  15
TORSDOF 1