REMARK  Name = BDB021276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.223  -1.285  -3.289  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1       -0.047  -0.649  -2.979  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1       -0.203  -0.200  -1.744  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1       -1.438  -0.563  -1.243  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -1.861  -0.229   0.056  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -1.087   0.476   0.833  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        0.148   0.843   0.340  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        0.658   0.559  -0.882  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -2.107  -1.233  -2.239  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        1.965   1.013  -1.281  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        2.998   1.412  -0.461  0.00  0.00    +0.120 A 
ATOM     12  N   LIG    1        4.036   1.773  -1.282  0.00  0.00    -0.242 N 
ATOM     13  N   LIG    1        3.738   1.633  -2.594  0.00  0.00    -0.177 NA
ATOM     14  C   LIG    1        2.489   1.156  -2.586  0.00  0.00    +0.143 A 
BRANCH  12  15
ATOM     15  C   LIG    1        5.341   2.317  -0.893  0.00  0.00    +0.236 C 
ATOM     16  O   LIG    1        5.411   2.444   0.534  0.00  0.00    -0.355 OA
ATOM     17  C   LIG    1        6.528   3.221   0.960  0.00  0.00    +0.162 C 
ATOM     18  C   LIG    1        7.771   3.036   0.090  0.00  0.00    +0.028 C 
ATOM     19  C   LIG    1        7.780   1.666  -0.572  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1        6.502   1.440  -1.381  0.00  0.00    +0.056 C 
ENDBRANCH  12  15
ENDBRANCH   8  10
BRANCH   1  22
ATOM     21  N   LIG    1       -1.628  -2.437  -5.578  0.00  0.00    -0.189 NA
ATOM     22  C   LIG    1       -1.432  -1.905  -4.563  0.00  0.00    +0.121 C 
ENDBRANCH   1  22
BRANCH   5  23
ATOM     23  N   LIG    1       -3.106  -0.603   0.506  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.324  -0.031   1.321  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.364  -1.998   0.844  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.811  -2.146   1.207  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.292  -1.918   2.493  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.566  -1.618   3.750  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -5.748  -1.199   4.626  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -6.959  -1.779   4.089  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -6.647  -2.027   2.779  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.580  -2.367   1.819  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.122  -2.596   0.524  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.756  -2.480   0.228  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.351  -2.715  -1.030  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   5  23
TORSDOF 6