REMARK  Name = BDB023936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.149  -0.296  -1.315  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        1.250  -0.405  -1.412  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        1.564  -0.757  -2.730  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        2.911  -0.937  -3.098  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        3.923  -0.763  -2.147  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        3.621  -0.409  -0.831  0.00  0.00    -0.013 A 
ATOM      7  C   LIG    1        0.351  -0.857  -3.444  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        2.278  -0.230  -0.457  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -0.668  -0.570  -2.570  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -7.238  -0.212  -0.316  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1       -5.882  -0.401  -0.946  0.00  0.00    +0.213 C 
ATOM     12  N   LIG    1       -4.777   0.057  -0.239  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -3.479  -0.066  -0.934  0.00  0.00    +0.148 C 
ATOM     14  C   LIG    1       -2.340   0.139   0.003  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -0.930   0.040  -0.148  0.00  0.00    +0.165 A 
ATOM     16  N   LIG    1       -0.295   0.321   1.000  0.00  0.00    -0.153 NA
ATOM     17  N   LIG    1       -1.274   0.592   1.879  0.00  0.00    -0.269 N 
ATOM     18  C   LIG    1       -0.925   0.925   3.239  0.00  0.00    +0.172 C 
ATOM     19  C   LIG    1       -2.509   0.521   1.320  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -3.816   0.774   1.971  0.00  0.00    +0.074 C 
ATOM     21  C   LIG    1       -4.869   1.026   0.874  0.00  0.00    +0.114 C 
ATOM     22  O   LIG    1       -5.782  -0.952  -2.043  0.00  0.00    -0.276 OA
ENDBRANCH   1  15
BRANCH   6  23
ATOM     23  C   LIG    1        4.672  -0.233   0.161  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.973   0.142  -0.105  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        6.612   0.203   1.100  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        7.990   0.556   1.335  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        5.821  -0.104   2.143  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        4.642  -0.365   1.571  0.00  0.00    +0.142 A 
ENDBRANCH   6  23
TORSDOF 2