REMARK  Name = BDB039136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.991   1.536   1.895  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.066   1.709   0.880  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.983   0.736   0.793  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.864   1.121  -0.142  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.910   2.304  -0.916  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.846   2.651  -1.763  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.721   1.831  -1.896  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.700   0.653  -1.144  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.214  -0.372  -1.025  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1        0.271  -1.280  -0.106  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.453  -0.897   0.337  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.090   3.235  -0.784  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.731   0.294  -0.284  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.341   2.497  -0.314  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.873   0.718   2.800  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -0.448  -2.528   0.344  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        0.374  -3.788   0.002  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1        1.193  -4.286   1.188  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        0.309  -4.639   2.386  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -0.972  -3.807   2.467  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -0.789  -2.429   1.845  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        8.026   2.235   2.819  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.055   2.380   1.783  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -1.469  -0.459  -1.753  0.00  0.00    +0.124 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.640   0.087  -0.933  0.00  0.00    +0.026 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.012  -0.155  -1.610  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -5.209   0.111  -0.658  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1       -5.331   1.605  -0.322  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -5.455   2.455  -1.586  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1       -4.340   2.183  -2.591  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -4.191   0.691  -2.886  0.00  0.00    +0.004 C 
BRANCH  27  32
ATOM     32  C   LIG    1       -5.159  -0.790   0.565  0.00  0.00    +0.308 C 
ATOM     33  O   LIG    1       -4.648  -1.898   0.617  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -5.802  -0.296   1.637  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -5.706  -0.993   2.320  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7