REMARK  Name = BDB039160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.619   2.412   1.445  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.529   2.458   0.594  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.693   1.279   0.381  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.428   1.534  -0.399  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.108   2.813  -0.908  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        0.919   3.024  -1.620  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.021   1.981  -1.868  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.349   0.717  -1.365  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.281  -0.510  -1.397  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1        0.549  -1.431  -0.785  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.625  -0.837  -0.310  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.033   3.974  -0.637  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.523   0.484  -0.658  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.468   3.504  -0.414  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        6.466   3.296   1.524  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        0.284  -2.912  -0.678  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        1.393  -3.717  -1.391  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1        2.466  -4.210  -0.425  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        1.885  -5.117   0.660  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1        0.434  -4.790   1.018  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        0.119  -3.316   0.802  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        6.758   1.188   3.086  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        5.651   1.272   2.188  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -1.566  -0.781  -2.018  0.00  0.00    +0.124 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.702  -1.063  -1.025  0.00  0.00    +0.025 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.142   0.142  -0.165  0.00  0.00    -0.009 C 
ATOM     27  C   LIG    1       -4.103  -0.313   0.955  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -5.571  -0.129   0.576  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -5.911   1.348   0.309  0.00  0.00    +0.098 C 
ATOM     30  C   LIG    1       -4.714   2.141  -0.234  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -3.762   1.255  -1.031  0.00  0.00    +0.004 C 
BRANCH  29  32
ATOM     32  C   LIG    1       -6.443   2.031   1.561  0.00  0.00    +0.308 C 
ATOM     33  O   LIG    1       -6.283   1.632   2.703  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -7.125   3.168   1.288  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -7.180   3.384   0.338  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7