REMARK  Name = BDB000173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.208  -0.839  -0.146  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.025  -0.281  -1.383  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.383  -0.238  -1.945  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.131  -0.143  -3.450  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -0.110   0.736  -3.524  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.929   0.298  -2.316  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        0.760  -1.226   0.525  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.229   0.952  -1.422  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.264   1.075  -0.052  0.00  0.00    -0.313 N 
ATOM     10  H   LIG    1        1.872   0.310   0.500  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        2.902   1.667  -2.163  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.115   2.034   0.623  0.00  0.00    +0.109 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.570   1.567   0.744  0.00  0.00    +0.054 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.740   0.425   1.718  0.00  0.00    -0.046 A 
ATOM     15  C   LIG    1        4.956   0.677   3.080  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        5.093  -0.379   3.982  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.011  -1.696   3.533  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.791  -1.958   2.182  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.656  -0.903   1.279  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  20
ATOM     20  C   LIG    1       -1.652  -1.143   0.365  0.00  0.00    +0.164 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -2.789   1.043   0.617  0.00  0.00    +0.230 C 
ATOM     22  N   LIG    1       -2.673  -0.169  -0.036  0.00  0.00    -0.302 N 
ATOM     23  H   LIG    1       -3.442  -0.484  -0.611  0.00  0.00    +0.150 HD
ATOM     24  O   LIG    1       -1.975   1.409   1.461  0.00  0.00    -0.274 OA
BRANCH  21  25
ATOM     25  C   LIG    1       -4.061   1.860   0.255  0.00  0.00    +0.137 C 
ATOM     26  C   LIG    1       -4.230   2.079  -1.248  0.00  0.00    +0.034 C 
BRANCH  25  28
ATOM     27  C   LIG    1       -3.225   4.165   0.560  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1       -4.120   3.116   1.039  0.00  0.00    -0.309 NA
ATOM     29  H   LIG    1       -3.829   2.882   1.994  0.00  0.00    +0.122 HD
ENDBRANCH  25  28
ENDBRANCH  21  25
ENDBRANCH  20  22
BRANCH  20  30
ATOM     30  C   LIG    1       -2.101  -2.622   0.080  0.00  0.00    -0.011 C 
ATOM     31  C   LIG    1       -2.269  -2.917  -1.420  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -1.076  -3.625   0.654  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -3.448  -2.901   0.787  0.00  0.00    +0.013 C 
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 9