REMARK  Name = BDB034653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.885   0.277  -0.261  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -2.027  -0.549  -0.254  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -3.262   0.096  -0.096  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -3.362   1.493  -0.008  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1       -2.160   2.194  -0.083  0.00  0.00    +0.115 A 
ATOM      6  N   LIG    1       -0.936   1.634  -0.202  0.00  0.00    -0.248 NA
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1        1.619   0.202   0.196  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.479  -0.341  -0.431  0.00  0.00    +0.267 C 
ATOM      9  O   LIG    1        0.542  -1.363  -1.123  0.00  0.00    -0.268 OA
BRANCH   7  10
ATOM     10  C   LIG    1        2.925  -0.462  -0.004  0.00  0.00    +0.090 C 
ATOM     11  C   LIG    1        3.376  -0.540  -1.482  0.00  0.00    +0.103 C 
ATOM     12  N   LIG    1        4.759  -1.027  -1.630  0.00  0.00    -0.314 NA
ATOM     13  H   LIG    1        4.882  -1.351  -2.589  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        5.106  -2.099  -0.694  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        3.904  -2.813  -0.081  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1        2.995  -1.843   0.675  0.00  0.00    +0.025 C 
ENDBRANCH   7  10
BRANCH   7  17
ATOM     17  C   LIG    1        1.555   1.232   1.243  0.00  0.00    +0.111 C 
BRANCH  17  19
ATOM     18  C   LIG    1        1.328   3.680   1.760  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1        1.840   2.662   0.737  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1        3.326   2.913   0.477  0.00  0.00    +0.009 C 
ENDBRANCH  17  19
ENDBRANCH   7  17
ENDBRANCH   1   8
BRANCH   4  21
ATOM     21  C   LIG    1       -4.691   2.192   0.127  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1       -4.935   3.140   1.278  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -5.636   1.816   1.245  0.00  0.00    +0.009 C 
ENDBRANCH   4  21
BRANCH   2  24
ATOM     24  N   LIG    1       -1.942  -1.969  -0.283  0.00  0.00    -0.335 N 
ATOM     25  H   LIG    1       -1.050  -2.240  -0.730  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.020  -2.868  -0.602  0.00  0.00    +0.122 C 
ATOM     27  C   LIG    1       -3.324  -2.986  -2.101  0.00  0.00    +0.184 C 
ATOM     28  O   LIG    1       -3.155  -4.427  -2.061  0.00  0.00    -0.376 OA
ATOM     29  C   LIG    1       -2.583  -4.334  -0.731  0.00  0.00    +0.184 C 
ENDBRANCH  24  26
ENDBRANCH   2  24
TORSDOF 7