REMARK  Name = BDB062139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.185  -1.839  -0.929  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.487  -1.470  -0.614  0.00  0.00    +0.077 A 
ATOM      3  N   LIG    1       -2.257  -2.382  -1.307  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -3.694  -2.517  -1.270  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -1.420  -3.188  -2.026  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -0.161  -2.889  -1.814  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.018  -0.442   0.287  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.697   0.716  -0.192  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1       -3.211   1.656   0.745  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.892   2.798   0.253  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -4.060   3.025  -1.113  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.548   2.120  -2.026  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.019   1.419   2.131  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -2.337   0.282   2.577  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.876   0.986  -1.571  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -1.843  -0.639   1.663  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -3.512   2.331   3.127  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1       -3.913   3.064   3.933  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
ENDBRANCH   2   7
BRANCH   1  23
ATOM     19  C   LIG    1        3.353  -0.127   0.760  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1        2.652   0.556  -0.238  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        1.503  -0.003  -0.830  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        0.810   0.790  -1.907  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1        1.028  -1.254  -0.378  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        1.745  -1.959   0.616  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1        1.325  -3.331   1.077  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        2.900  -1.384   1.173  0.00  0.00    +0.015 A 
BRANCH  19  27
ATOM     27  C   LIG    1        4.582   0.434   1.405  0.00  0.00    +0.163 C 
ATOM     28  O   LIG    1        5.108  -0.180   2.331  0.00  0.00    -0.292 OA
BRANCH  27  30
ATOM     29  C   LIG    1        6.421   2.153   1.598  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1        5.136   1.753   0.891  0.00  0.00    +0.076 C 
ENDBRANCH  27  30
ENDBRANCH  19  27
ENDBRANCH   1  23
TORSDOF 5