REMARK  Name = BDB008508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.477  -1.182   0.723  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.819  -0.883   0.548  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.743  -1.833   0.766  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.377  -3.108   1.145  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.034  -3.337   1.297  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.902  -2.397   1.097  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.365  -0.145   0.461  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1       -0.841   0.695   0.213  0.00  0.00    +0.155 HD
BRANCH   7  10
ATOM      9  C   LIG    1       -3.381   1.209   0.132  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -2.746   0.046   0.638  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -3.564  -0.917   1.247  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -4.943  -0.727   1.392  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.543   0.435   0.924  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.765   1.404   0.295  0.00  0.00    +0.015 A 
BRANCH   9  18
ATOM     15  N   LIG    1       -3.212   3.008  -1.518  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1       -4.070   2.693  -1.950  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -2.611   3.603  -2.074  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1       -2.578   2.257  -0.564  0.00  0.00    +0.243 C 
ATOM     19  O   LIG    1       -1.386   2.424  -0.334  0.00  0.00    -0.270 OA
ENDBRANCH   9  18
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  N   LIG    1        3.126  -1.576   0.590  0.00  0.00    -0.299 N 
ATOM     21  H   LIG    1        3.642  -1.930   1.387  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.758  -0.440   0.034  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1        5.112  -0.210   0.327  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        5.806   0.863  -0.241  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.160   1.713  -1.133  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.829   1.480  -1.464  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.140   0.404  -0.895  0.00  0.00    +0.023 A 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5