REMARK  Name = BDB018890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.587  -0.763   0.680  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -1.211  -0.688   0.576  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.335   0.184  -0.104  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.991  -0.260   0.055  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        2.084   0.424  -0.494  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.798   1.608  -1.192  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        0.483   2.060  -1.353  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.034  -1.526   0.858  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.590   1.347  -0.811  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.400  -1.625   1.365  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -3.102  -1.552   1.487  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.475  -0.027  -0.355  0.00  0.00    +0.073 A 
ATOM     13  N   LIG    1        4.328   0.879   0.186  0.00  0.00    -0.232 NA
ATOM     14  C   LIG    1        5.617   0.538   0.335  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1        6.108  -0.704  -0.050  0.00  0.00    +0.043 A 
ATOM     16  C   LIG    1        5.236  -1.626  -0.618  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        3.899  -1.283  -0.777  0.00  0.00    +0.028 A 
BRANCH  14  18
ATOM     18  N   LIG    1        6.478   1.485   0.901  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1        7.228   1.696   0.251  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        6.888   1.107   1.749  0.00  0.00    +0.144 HD
ENDBRANCH  14  18
ENDBRANCH   5  12
BRANCH   1  22
ATOM     21  N   LIG    1       -4.836  -0.480  -0.438  0.00  0.00    -0.258 N 
ATOM     22  C   LIG    1       -3.481   0.121  -0.195  0.00  0.00    +0.170 C 
ATOM     23  C   LIG    1       -3.797   1.441   0.507  0.00  0.00    +0.034 C 
ATOM     24  C   LIG    1       -5.020   1.110   1.343  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -5.827   0.179   0.451  0.00  0.00    +0.117 C 
BRANCH  21  27
ATOM     26  N   LIG    1       -5.201  -2.655  -1.606  0.00  0.00    -0.174 NA
ATOM     27  C   LIG    1       -5.034  -1.653  -1.051  0.00  0.00    +0.170 C 
ENDBRANCH  21  27
ENDBRANCH   1  22
TORSDOF 4