REMARK  Name = BDB020963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.753  -0.092  -2.668  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -2.198   0.714  -1.919  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.862   0.603  -1.581  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -0.108  -0.557  -2.077  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        1.144  -0.863  -1.240  0.00  0.00    +0.125 C 
ATOM      6  N   LIG    1        2.023   0.317  -1.179  0.00  0.00    -0.312 N 
ATOM      7  C   LIG    1        1.367   1.625  -1.019  0.00  0.00    +0.125 C 
ATOM      8  C   LIG    1       -0.134   1.504  -0.680  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        3.244   0.120  -0.535  0.00  0.00    +0.121 A 
ATOM     10  N   LIG    1        3.466  -1.050   0.102  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1        4.663  -1.240   0.718  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        5.691  -0.313   0.716  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        5.470   0.887   0.051  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        4.240   1.099  -0.579  0.00  0.00    +0.044 A 
BRANCH  12  15
ATOM     15  C   LIG    1        6.966  -0.607   1.401  0.00  0.00    +0.122 C 
ATOM     16  N   LIG    1        8.100   0.154   1.220  0.00  0.00    -0.327 N 
ATOM     17  H   LIG    1        8.248   0.535   0.293  0.00  0.00    +0.148 HD
ATOM     18  C   LIG    1        9.213  -0.575   1.788  0.00  0.00    +0.126 C 
ATOM     19  C   LIG    1        8.489  -1.571   2.695  0.00  0.00    +0.162 C 
ATOM     20  N   LIG    1        7.084  -1.633   2.207  0.00  0.00    -0.267 NA
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   2  21
ATOM     21  C   LIG    1       -2.973   1.871  -1.308  0.00  0.00    +0.103 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.449   1.854  -1.697  0.00  0.00    +0.083 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.212   0.833  -0.885  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1       -5.079  -0.472  -1.274  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -4.447  -0.714  -2.036  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -5.675  -1.519  -0.619  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1       -5.508  -2.688  -0.947  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -6.527  -1.146   0.523  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1       -6.613   0.212   0.846  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1       -7.411   0.590   1.927  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -8.107  -0.370   2.669  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -8.009  -1.721   2.335  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -7.216  -2.115   1.258  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1       -5.927   1.206   0.127  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 5