REMARK  Name = BDB004018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.083  -2.079  -0.303  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.001  -1.288  -0.193  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.211  -1.823  -0.398  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        1.398  -3.117  -0.699  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        0.305  -3.888  -0.801  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -0.968  -3.417  -0.617  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.386  -1.567  -0.087  0.00  0.00    -0.299 N 
ATOM      8  H   LIG    1       -2.977  -1.792  -0.892  0.00  0.00    +0.154 HD
BRANCH   7  10
ATOM      9  C   LIG    1       -3.870   0.417  -0.008  0.00  0.00    +0.080 A 
ATOM     10  C   LIG    1       -2.740  -0.301   0.446  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -2.012   0.232   1.526  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.357   1.452   2.112  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -3.455   2.162   1.643  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.210   1.645   0.591  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1       -5.753   0.558  -1.507  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1       -4.757  -0.025  -1.119  0.00  0.00    +0.339 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -4.375  -1.172  -1.717  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -5.059  -1.284  -2.414  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        2.377  -1.065  -0.319  0.00  0.00    -0.283 N 
ATOM     20  H   LIG    1        3.171  -1.704  -0.336  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.664   0.258   0.059  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        3.999   0.724   0.086  0.00  0.00    +0.080 A 
ATOM     23  C   LIG    1        4.311   2.040   0.475  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        3.292   2.933   0.788  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        1.969   2.515   0.711  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        1.663   1.197   0.347  0.00  0.00    +0.024 A 
BRANCH  22  27
ATOM     27  C   LIG    1        5.107  -0.190  -0.280  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1        5.146  -1.361   0.057  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        6.036   0.388  -1.072  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        5.774   1.258  -1.429  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 8