REMARK  Name = BDB020950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.632  -0.114  -0.339  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -2.489   0.392   0.451  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -1.173   0.144  -0.315  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -1.014  -1.251  -0.760  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.214  -1.819  -1.079  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.306  -2.862  -1.727  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -2.212  -1.848  -1.371  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -3.496  -1.571  -0.570  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -5.021   2.319  -1.025  0.00  0.00    +0.047 C 
ATOM     10  C   LIG    1       -5.515   1.379   0.035  0.00  0.00    -0.011 A 
ATOM     11  C   LIG    1       -4.836   0.188   0.342  0.00  0.00    +0.124 A 
ATOM     12  N   LIG    1       -5.290  -0.667   1.287  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1       -6.423  -0.344   1.948  0.00  0.00    +0.113 A 
ATOM     14  C   LIG    1       -7.144   0.810   1.721  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -6.680   1.685   0.749  0.00  0.00    +0.008 A 
ENDBRANCH   1  11
BRANCH   5  16
ATOM     16  C   LIG    1        1.452  -1.092  -0.588  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.730  -1.865  -0.903  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.926  -1.003  -0.596  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        4.435  -0.287  -1.646  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        4.049  -0.377  -2.575  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        5.508   0.559  -1.528  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        5.949   1.186  -2.484  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        6.088   0.666  -0.180  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        5.499  -0.094   0.835  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1        6.031  -0.012   2.123  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        7.128   0.813   2.389  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.705   1.565   1.365  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        7.186   1.494   0.073  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1        4.394  -0.933   0.607  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   5  16
TORSDOF 4