REMARK  Name = BDB007867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.068  -1.476  -0.614  0.00  0.00    +0.145 C 
ATOM      2  C   LIG    1        1.982  -0.255  -0.392  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1        1.998   0.784  -1.039  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        2.815  -0.516   0.684  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        2.572  -1.816   1.246  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        1.910  -2.556   0.098  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.216  -1.009  -0.071  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1       -2.520  -2.313   0.331  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1       -1.149  -2.432  -0.333  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -0.273  -1.295   0.013  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1       -0.908  -0.030  -0.405  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -2.284   0.161   0.238  0.00  0.00    +0.027 C 
BRANCH   7  13
ATOM     13  C   LIG    1       -4.546  -0.851   0.665  0.00  0.00    +0.166 C 
ATOM     14  O   LIG    1       -4.808  -1.506   1.673  0.00  0.00    -0.292 OA
BRANCH  13  18
ATOM     15  C   LIG    1       -7.559   1.941  -0.665  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -7.689   1.265   0.546  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -6.698   0.364   0.957  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -5.565   0.128   0.165  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1       -5.441   0.806  -1.051  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -6.433   1.706  -1.458  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -9.609   3.117  -0.414  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -8.445   2.842  -1.184  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  13  18
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  23
ATOM     23  C   LIG    1        3.643   0.484   1.330  0.00  0.00    +0.182 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.941   0.637   0.552  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1        4.800   1.191  -0.718  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1        3.869   1.389  -1.077  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        5.848   1.380  -1.598  0.00  0.00    +0.262 A 
ATOM     28  O   LIG    1        5.709   1.817  -2.733  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        7.105   0.993  -1.031  0.00  0.00    +0.103 A 
ATOM     30  C   LIG    1        8.433   0.997  -1.468  0.00  0.00    +0.150 A 
ATOM     31  N   LIG    1        9.267   0.513  -0.537  0.00  0.00    -0.177 NA
ATOM     32  N   LIG    1        8.448   0.202   0.498  0.00  0.00    -0.249 N 
ATOM     33  C   LIG    1        9.010  -0.356   1.702  0.00  0.00    +0.174 C 
ATOM     34  C   LIG    1        7.132   0.474   0.241  0.00  0.00    +0.165 A 
ATOM     35  N   LIG    1        6.080   0.267   1.072  0.00  0.00    -0.213 NA
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 6