REMARK  Name = BDB001489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.714   0.785  -1.038  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -4.414  -0.256  -0.107  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -5.274  -1.161   0.763  0.00  0.00    -0.001 C 
ATOM      4  C   LIG    1       -4.409  -2.366   1.304  0.00  0.00    +0.050 C 
ATOM      5  C   LIG    1       -2.967  -2.061   1.602  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -2.266  -1.103   0.894  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1       -0.955  -0.853   1.050  0.00  0.00    -0.212 NA
ATOM      8  C   LIG    1       -0.315  -1.580   1.981  0.00  0.00    +0.220 A 
ATOM      9  N   LIG    1       -0.913  -2.526   2.729  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1       -2.219  -2.762   2.511  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -6.446  -1.796  -0.010  0.00  0.00    +0.016 C 
ATOM     12  C   LIG    1       -5.819  -0.367   1.966  0.00  0.00    +0.016 C 
ATOM     13  C   LIG    1       -3.026  -0.272  -0.025  0.00  0.00    +0.092 A 
ATOM     14  N   LIG    1       -2.581   0.663  -0.911  0.00  0.00    -0.264 N 
ATOM     15  C   LIG    1       -1.218   1.028  -1.214  0.00  0.00    +0.173 C 
ATOM     16  N   LIG    1       -3.576   1.292  -1.566  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -6.991   3.047  -2.954  0.00  0.00    +0.128 C 
ATOM     18  N   LIG    1       -5.904   2.217  -2.521  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1       -4.944   2.438  -2.779  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -6.013   1.361  -1.444  0.00  0.00    +0.264 C 
ATOM     21  O   LIG    1       -7.074   1.141  -0.870  0.00  0.00    -0.268 OA
ENDBRANCH   1  20
BRANCH   8  22
ATOM     22  N   LIG    1        1.026  -1.372   2.289  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        1.276  -1.955   3.076  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.080  -0.725   1.639  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        2.015  -0.280   0.317  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        3.083   0.404  -0.276  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        4.247   0.673   0.452  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        4.317   0.245   1.782  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        3.246  -0.441   2.365  0.00  0.00    +0.023 A 
BRANCH  27  30
ATOM     30  C   LIG    1        5.403   1.420  -0.179  0.00  0.00    +0.119 C 
BRANCH  30  31
ATOM     31  N   LIG    1        6.654   0.646  -0.204  0.00  0.00    -0.294 NA
ATOM     32  C   LIG    1        6.528  -0.565  -1.049  0.00  0.00    +0.113 C 
ATOM     33  C   LIG    1        7.891  -1.043  -1.571  0.00  0.00    +0.175 C 
ATOM     34  O   LIG    1        8.515  -0.085  -2.438  0.00  0.00    -0.377 OA
ATOM     35  C   LIG    1        8.166   1.269  -2.123  0.00  0.00    +0.175 C 
ATOM     36  C   LIG    1        7.798   1.471  -0.645  0.00  0.00    +0.113 C 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 5