REMARK  Name = BDB039085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.062   1.860   1.887  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.267   1.846   0.754  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.319   0.746   0.617  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.295   0.931  -0.473  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.315   2.050  -1.338  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.343   2.203  -2.336  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.339   1.250  -2.530  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.336   0.139  -1.680  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.491  -0.961  -1.560  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1        0.022  -1.773  -0.566  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.074  -1.207  -0.007  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.361   3.120  -1.145  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.286  -0.032  -0.679  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.611   2.573  -0.461  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        4.915   1.100   2.837  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -0.522  -3.122  -0.170  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        0.562  -4.212  -0.310  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1        1.267  -4.506   1.010  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        0.290  -4.986   2.085  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -1.123  -4.425   1.921  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -1.113  -3.056   1.254  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        6.867   2.863   2.992  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        6.032   2.815   1.835  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -1.640  -1.236  -2.398  0.00  0.00    +0.124 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.016  -1.167  -1.721  0.00  0.00    +0.025 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.526   0.184  -1.180  0.00  0.00    -0.009 C 
ATOM     27  C   LIG    1       -2.784   0.686   0.066  0.00  0.00    +0.018 C 
ATOM     28  C   LIG    1       -3.519   1.869   0.727  0.00  0.00    +0.098 C 
ATOM     29  C   LIG    1       -4.275   2.745  -0.282  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -3.641   2.698  -1.667  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -3.627   1.282  -2.251  0.00  0.00    +0.003 C 
BRANCH  28  32
ATOM     32  C   LIG    1       -4.479   1.385   1.793  0.00  0.00    +0.308 C 
ATOM     33  O   LIG    1       -4.977   0.276   1.890  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -4.784   2.350   2.682  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -5.398   1.913   3.308  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  28  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7