REMARK  Name = BDB007615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.151   0.434   1.992  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.923   0.441   0.851  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.467   0.563  -0.046  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.604   0.658   3.110  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        4.092  -0.271   1.527  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        3.565   0.371   2.657  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        2.192   0.600   2.796  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        1.304   0.172   1.807  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        1.806  -0.519   0.700  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        3.184  -0.743   0.573  0.00  0.00    +0.023 A 
BRANCH   5  11
ATOM     11  N   LIG    1        5.464  -0.518   1.486  0.00  0.00    -0.341 N 
ATOM     12  H   LIG    1        5.987   0.136   2.063  0.00  0.00    +0.146 HD
BRANCH  11  17
ATOM     13  C   LIG    1        9.400   0.475  -1.058  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        8.479  -0.543  -1.558  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1        7.161   0.011  -1.888  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        6.300   0.345  -0.671  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        6.163  -0.872   0.247  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        7.551  -1.412   0.609  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        8.370  -1.691  -0.651  0.00  0.00    +0.086 C 
ENDBRANCH  11  17
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  20
ATOM     20  C   LIG    1       -2.309   0.876   0.889  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.053   0.430  -0.372  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.380   0.960  -1.529  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -3.075   0.995  -2.219  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -4.514   0.925  -0.364  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.184   0.687  -1.665  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -6.483   1.394  -1.725  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -7.600   0.743  -0.937  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.563  -0.630  -0.628  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.627  -1.215   0.071  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.732  -0.449   0.442  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -9.780   0.905   0.122  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.356  -1.458  -0.990  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -8.723   1.498  -0.568  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.415  -0.739  -1.968  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8