REMARK  Name = BDB051741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.826  -2.823  -1.063  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -2.660  -1.777  -0.519  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -2.275  -0.557  -0.048  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -0.959   0.048   0.024  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -0.850   1.244   0.717  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -2.018   1.843   1.459  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -3.407   1.477   0.875  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        0.417   1.766   0.743  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        1.466   1.187   0.126  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        1.249   0.029  -0.518  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1        0.054  -0.567  -0.603  0.00  0.00    -0.213 NA
ATOM     12  C   LIG    1       -3.434   0.073   0.368  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.488  -0.845   0.100  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -3.991  -1.977  -0.434  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -5.932  -0.685   0.327  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.812  -1.123  -0.408  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.279  -0.028   1.481  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -7.260  -0.108   1.715  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -5.625  -0.030   2.251  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1        2.281  -0.632  -1.161  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        1.847  -1.256  -1.829  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.348   0.194  -1.684  0.00  0.00    +0.139 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.529   0.196  -0.747  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1        4.821   1.315   0.038  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        5.917   1.267   0.885  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1        6.731   0.196   1.004  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        6.421  -0.882   0.253  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        5.348  -0.931  -0.623  0.00  0.00    +0.025 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 4