REMARK  Name = BDB022964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.799  -1.070   4.009  0.00  0.00    +0.014 C 
ATOM      2  C   LIG    1        0.944  -0.651   2.809  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1        1.758  -0.221   1.607  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1        1.417  -0.575   0.306  0.00  0.00    +0.070 A 
ATOM      5  N   LIG    1        2.118  -0.155  -0.774  0.00  0.00    -0.217 NA
ATOM      6  C   LIG    1        3.163   0.653  -0.569  0.00  0.00    +0.216 A 
ATOM      7  N   LIG    1        3.558   1.056   0.642  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.216  -1.473   0.024  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1        0.691  -2.873  -0.386  0.00  0.00    +0.035 C 
ATOM     10  N   LIG    1       -0.694  -1.525   1.185  0.00  0.00    -0.292 N 
ATOM     11  C   LIG    1       -1.902  -0.828   1.264  0.00  0.00    +0.220 C 
ATOM     12  O   LIG    1       -2.388  -0.545   2.362  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        2.843   0.625   1.698  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1       -0.014  -1.804   2.449  0.00  0.00    +0.116 C 
ENDROOT
BRANCH  11  15
ATOM     15  C   LIG    1       -2.635  -0.459  -0.036  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -3.830   0.492   0.246  0.00  0.00    +0.045 C 
ATOM     17  C   LIG    1       -5.067  -0.271   0.787  0.00  0.00    +0.093 C 
ATOM     18  N   LIG    1       -5.415  -1.482   0.021  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -6.571  -2.149   0.621  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -4.278  -2.399  -0.069  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -3.097  -1.726  -0.768  0.00  0.00    +0.029 C 
BRANCH  16  22
ATOM     22  C   LIG    1       -4.097   1.397  -0.959  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -3.362   2.591  -1.082  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -3.551   3.444  -2.171  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.477   3.117  -3.158  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.209   1.938  -3.055  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.019   1.083  -1.966  0.00  0.00    +0.004 A 
ENDBRANCH  16  22
ENDBRANCH  11  15
BRANCH   6  28
ATOM     28  N   LIG    1        3.827   1.052  -1.710  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        3.526   0.432  -2.453  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.255   1.355  -1.685  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        6.104   0.222  -1.109  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        7.587   0.578  -1.171  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        7.851   1.979  -1.100  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        6.897   2.686  -0.313  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        5.557   2.711  -1.034  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH   6  28
TORSDOF 4