REMARK  Name = BDB021360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.489  -3.309   1.862  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        1.416  -2.347   1.548  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        0.810  -1.543   0.694  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1       -0.502  -1.928   0.490  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -1.382  -1.216  -0.345  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.956  -0.171  -1.002  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        0.356   0.212  -0.818  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.265  -0.398  -0.026  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -0.702  -3.082   1.212  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.634   0.163   0.064  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1        3.374   0.472  -1.089  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        4.674   0.994  -0.996  0.00  0.00    -0.041 A 
ATOM     13  C   LIG    1        5.437   1.349  -2.249  0.00  0.00    +0.050 C 
ATOM     14  C   LIG    1        6.926   1.597  -1.980  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1        7.130   2.457  -0.808  0.00  0.00    -0.312 NA
ATOM     16  H   LIG    1        6.573   3.303  -0.920  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        6.655   1.761   0.395  0.00  0.00    +0.116 C 
ATOM     18  C   LIG    1        5.244   1.232   0.267  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1        4.517   0.901   1.417  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        3.227   0.373   1.315  0.00  0.00    +0.009 A 
ENDBRANCH   8  10
BRANCH   1  22
ATOM     21  N   LIG    1        1.003  -5.269   3.479  0.00  0.00    -0.189 NA
ATOM     22  C   LIG    1        0.795  -4.386   2.754  0.00  0.00    +0.121 C 
ENDBRANCH   1  22
BRANCH   5  23
ATOM     23  N   LIG    1       -2.693  -1.608  -0.496  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.098  -1.073  -1.263  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.597  -1.607   0.652  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.915  -0.985   0.293  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.061   0.382   0.070  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.050   1.468   0.065  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -4.984   2.678   0.062  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -6.266   2.279  -0.477  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -6.293   0.923  -0.279  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.424   0.146  -0.427  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.305  -1.224  -0.201  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -6.065  -1.774   0.155  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.991  -3.096   0.363  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   5  23
TORSDOF 5