REMARK  Name = BDB029635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.194  -0.356  -0.930  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.179  -1.277  -0.373  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.561  -2.083  -1.470  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        1.079  -1.298  -2.601  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.307  -0.074  -2.864  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.163  -0.171  -2.393  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.999  -0.104   0.870  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -4.629  -1.305   0.259  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -3.372  -1.433  -0.356  0.00  0.00    +0.073 A 
ATOM     10  C   LIG    1       -2.463  -0.355  -0.349  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -2.855   0.836   0.291  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -4.103   0.963   0.904  0.00  0.00    +0.015 A 
BRANCH   7  16
ATOM     13  C   LIG    1       -7.022   2.069   0.303  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1       -7.127   1.065   1.337  0.00  0.00    -0.314 N 
ATOM     15  H   LIG    1       -8.006   0.994   1.837  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -6.321  -0.028   1.530  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -6.694  -0.958   2.240  0.00  0.00    -0.270 OA
ENDBRANCH   7  16
BRANCH   9  18
ATOM     18  C   LIG    1       -3.064  -2.686  -0.983  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -2.828  -3.707  -1.482  0.00  0.00    -0.191 NA
ENDBRANCH   9  18
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  C   LIG    1        2.531  -1.145  -2.669  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.187  -0.367  -1.554  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1        3.619  -0.990  -0.376  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        4.215  -0.222   0.617  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1        4.373   1.146   0.406  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1        4.997   1.953   1.448  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        5.418   1.393   2.595  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        5.250  -0.080   2.819  0.00  0.00    +0.252 A 
ATOM     28  O   LIG    1        5.624  -0.623   3.853  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1        6.066   2.165   3.700  0.00  0.00    +0.049 C 
ATOM     30  N   LIG    1        3.982   1.779  -0.719  0.00  0.00    -0.253 NA
ATOM     31  N   LIG    1        4.657  -0.800   1.813  0.00  0.00    -0.321 N 
ATOM     32  H   LIG    1        4.554  -1.791   1.980  0.00  0.00    +0.169 HD
ATOM     33  C   LIG    1        3.403   1.008  -1.669  0.00  0.00    +0.116 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5