REMARK  Name = BDB021667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.072  -1.752   1.128  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1       -0.583  -1.307   1.113  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1       -0.212  -0.283   1.696  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.323  -2.134   0.505  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1        0.050  -3.485   0.106  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1        1.421  -4.146   0.026  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        2.350  -2.995  -0.339  0.00  0.00    +0.036 C 
ATOM      8  O   LIG    1       -0.586  -3.497  -1.156  0.00  0.00    -0.359 OA
ATOM      9  C   LIG    1       -1.696  -2.600  -1.290  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        1.737  -1.780   0.366  0.00  0.00    +0.168 C 
ATOM     11  C   LIG    1       -2.612  -2.564  -0.068  0.00  0.00    +0.060 C 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1        1.914  -0.539  -0.508  0.00  0.00    +0.252 C 
ATOM     13  N   LIG    1        3.105   0.198  -0.288  0.00  0.00    -0.286 N 
ATOM     14  C   LIG    1        3.462   1.396  -0.929  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        4.715   1.790  -0.448  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.306   2.974  -0.936  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        4.633   3.741  -1.890  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.388   3.345  -2.358  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.130   0.823   0.495  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        2.783   2.174  -1.888  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        4.144  -0.130   0.574  0.00  0.00    +0.095 A 
ATOM     22  O   LIG    1        1.137  -0.195  -1.394  0.00  0.00    -0.270 OA
ENDBRANCH  10  12
BRANCH   1  24
ATOM     23  C   LIG    1       -3.195   0.387   0.518  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -2.880  -0.571   1.465  0.00  0.00    -0.303 N 
ATOM     25  H   LIG    1       -2.687  -0.194   2.385  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1       -3.003   0.225  -0.686  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -3.745   1.719   1.095  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -4.900   1.485   2.065  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -3.926   3.966   0.183  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -4.229   2.558  -0.024  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -3.750   2.237  -0.875  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH   1  24
TORSDOF 4