REMARK  Name = BDB061879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.444  -0.644  -0.429  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1       -1.316  -1.436   0.191  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.223   0.389  -0.027  0.00  0.00    +0.197 A 
ATOM      4  N   LIG    1       -3.305   0.223   0.813  0.00  0.00    -0.307 N 
ATOM      5  C   LIG    1       -3.865   1.464   1.038  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -3.082   2.328   0.281  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1       -3.379   3.700   0.269  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -4.463   4.162   1.024  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -5.237   3.276   1.774  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.956   1.905   1.798  0.00  0.00    +0.028 A 
ATOM     11  N   LIG    1       -2.085   1.649  -0.368  0.00  0.00    -0.214 NA
BRANCH   4  12
ATOM     12  C   LIG    1       -3.786  -1.023   1.385  0.00  0.00    +0.160 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.994  -1.569   0.658  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1       -6.189  -1.809   1.356  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -7.304  -2.330   0.696  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1       -7.225  -2.619  -0.661  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1       -8.295  -3.120  -1.292  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -6.051  -2.399  -1.370  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -4.935  -1.879  -0.712  0.00  0.00    +0.008 A 
ENDBRANCH  12  13
ENDBRANCH   4  12
ENDBRANCH   1   3
BRANCH   1  22
ATOM     20  N   LIG    1        2.142  -0.474  -0.764  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1        0.903   0.193  -0.308  0.00  0.00    +0.106 C 
ATOM     22  C   LIG    1       -0.241  -0.319  -1.201  0.00  0.00    +0.088 C 
ATOM     23  C   LIG    1        0.320  -1.579  -1.861  0.00  0.00    +0.039 C 
ATOM     24  C   LIG    1        1.676  -1.796  -1.205  0.00  0.00    +0.086 C 
BRANCH  20  25
ATOM     25  C   LIG    1        2.791   0.300  -1.843  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.212  -0.183  -2.200  0.00  0.00    +0.050 C 
BRANCH  26  30
ATOM     27  C   LIG    1        7.194   0.815   0.775  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1        6.357  -0.284   0.960  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        5.394  -0.606  -0.003  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        5.255   0.165  -1.164  0.00  0.00    -0.046 A 
ATOM     31  C   LIG    1        6.095   1.270  -1.342  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1        7.056   1.588  -0.380  0.00  0.00    +0.046 A 
BRANCH  27  34
ATOM     33  C   LIG    1        8.332   0.496   2.836  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        8.172   1.238   1.634  0.00  0.00    -0.495 OA
ENDBRANCH  27  34
ENDBRANCH  26  30
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH   1  22
TORSDOF 8