REMARK  Name = BDB004017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.267   0.652   0.026  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.152  -0.097   0.064  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.029   0.486  -0.200  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.111   1.815  -0.543  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.070   2.511  -0.560  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -1.258   1.958  -0.272  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.442  -0.018   0.338  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1       -2.273  -1.020   0.416  0.00  0.00    +0.155 HD
BRANCH   7  10
ATOM      9  C   LIG    1       -4.759  -0.695   0.639  0.00  0.00    +0.169 A 
ATOM     10  C   LIG    1       -3.810   0.268   0.222  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -4.295   1.508  -0.215  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -5.667   1.780  -0.265  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -6.586   0.820   0.143  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -6.132  -0.413   0.604  0.00  0.00    +0.050 A 
BRANCH   9  15
ATOM     15  O   LIG    1       -4.449  -1.932   1.177  0.00  0.00    -0.407 OA
BRANCH  15  16
ATOM     16  N   LIG    1       -3.331  -2.569   0.489  0.00  0.00    -0.168 NA
ATOM     17  H   LIG    1       -3.825  -3.288  -0.042  0.00  0.00    +0.163 HD
ATOM     18  H   LIG    1       -2.895  -3.062   1.272  0.00  0.00    +0.163 HD
ENDBRANCH  15  16
ENDBRANCH   9  15
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        2.142  -0.357  -0.156  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1        1.824  -1.318   0.004  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.494  -0.166   0.192  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        4.452  -1.156  -0.119  0.00  0.00    +0.080 A 
ATOM     23  C   LIG    1        5.814  -0.983   0.185  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        6.246   0.198   0.780  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.321   1.193   1.083  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.963   1.011   0.793  0.00  0.00    +0.024 A 
BRANCH  22  27
ATOM     27  C   LIG    1        4.021  -2.430  -0.737  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1        3.070  -3.076  -0.332  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        4.772  -2.779  -1.803  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        5.381  -2.079  -2.109  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 8