REMARK  Name = BDB008735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.868   0.281  -0.106  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1        0.194   0.994  -0.524  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1        1.289   0.304  -0.905  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1        1.384  -1.075  -0.878  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        0.281  -1.811  -0.437  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -0.873  -1.107  -0.070  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.327  -3.269  -0.419  0.00  0.00    +0.100 A 
ATOM      8  C   LIG    1        0.086  -4.088   0.680  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1        0.134  -5.467   0.515  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1       -0.162  -6.006   1.778  0.00  0.00    +0.162 A 
ATOM     11  N   LIG    1       -0.364  -5.061   2.699  0.00  0.00    -0.177 NA
ATOM     12  N   LIG    1        0.416  -6.075  -0.656  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1        0.661  -5.215  -1.649  0.00  0.00    +0.222 A 
ATOM     14  N   LIG    1       -0.190  -3.906   2.014  0.00  0.00    -0.263 N 
ATOM     15  C   LIG    1       -0.268  -2.668   2.755  0.00  0.00    +0.173 C 
ATOM     16  N   LIG    1        0.642  -3.872  -1.594  0.00  0.00    -0.233 NA
ENDBRANCH   5   7
BRANCH   1  18
ATOM     17  C   LIG    1       -3.102   0.687   0.915  0.00  0.00    +0.235 C 
ATOM     18  N   LIG    1       -1.950   1.076   0.269  0.00  0.00    -0.269 N 
ATOM     19  H   LIG    1       -1.772   2.059   0.111  0.00  0.00    +0.156 HD
ATOM     20  O   LIG    1       -3.306  -0.442   1.363  0.00  0.00    -0.274 OA
BRANCH  17  21
ATOM     21  C   LIG    1       -4.114   1.845   1.144  0.00  0.00    +0.137 C 
ATOM     22  C   LIG    1       -4.462   2.561  -0.160  0.00  0.00    +0.034 C 
BRANCH  21  24
ATOM     23  C   LIG    1       -5.957   2.177   2.701  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1       -5.357   1.286   1.720  0.00  0.00    -0.309 NA
ATOM     25  H   LIG    1       -5.123   0.394   2.171  0.00  0.00    +0.122 HD
ENDBRANCH  21  24
ENDBRANCH  17  21
ENDBRANCH   1  18
BRANCH   3  26
ATOM     26  C   LIG    1        2.380   1.111  -1.346  0.00  0.00    -0.041 C 
ATOM     27  C   LIG    1        3.301   1.788  -1.718  0.00  0.00    -0.060 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.398   2.592  -2.161  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1        4.699   2.675  -3.523  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        5.771   3.458  -3.955  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.542   4.158  -3.027  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.243   4.076  -1.667  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        5.171   3.293  -1.233  0.00  0.00    +0.017 A 
ENDBRANCH  27  28
ENDBRANCH   3  26
TORSDOF 6