REMARK  Name = BDB039198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.330   1.860   0.348  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.088   1.954  -0.254  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        4.109   0.877  -0.127  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.733   1.211  -0.645  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.442   2.456  -1.246  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.152   2.740  -1.709  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.119   1.802  -1.611  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.414   0.568  -1.019  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.340  -0.565  -0.741  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1        0.519  -1.520  -0.208  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.728  -1.002  -0.064  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.521   3.507  -1.340  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.687   0.269  -0.558  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.912   2.881  -1.360  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        7.260   2.629   0.128  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        0.277  -2.954   0.219  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        0.337  -3.079   1.756  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -0.374  -4.321   2.299  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -0.242  -5.501   1.348  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -0.853  -5.205  -0.023  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -0.909  -3.711  -0.365  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        7.677   0.683   1.862  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        6.411   0.814   1.216  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -1.753  -0.673  -1.065  0.00  0.00    +0.138 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.783  -0.183  -0.021  0.00  0.00    +0.120 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.241   1.300  -0.169  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -4.250   1.727   0.932  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -5.701   1.583   0.488  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -6.016   2.480  -0.708  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -4.800   2.740  -1.595  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -3.834   1.561  -1.577  0.00  0.00    +0.004 C 
ENDBRANCH  25  26
BRANCH  25  32
ATOM     32  C   LIG    1       -2.314  -0.524   1.372  0.00  0.00    +0.310 C 
ATOM     33  O   LIG    1       -2.589  -1.552   1.969  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -1.510   0.401   1.920  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -1.220   0.024   2.778  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  25  32
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7