REMARK  Name = BDB012884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.034   0.832   0.865  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1       -1.000   0.253   0.143  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.378   0.635   0.388  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.216  -0.417  -0.345  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.312  -0.777  -1.526  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -1.084  -0.743  -0.915  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.792   1.732   1.675  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -5.659   0.237   0.839  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -5.133  -0.748   0.051  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -5.628  -1.489  -0.434  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -3.798  -0.697  -0.068  0.00  0.00    -0.169 NA
ATOM     12  C   LIG    1       -3.427   0.369   0.667  0.00  0.00    +0.147 A 
ATOM     13  C   LIG    1       -4.575   0.975   1.257  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.670  -0.841   1.859  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -7.122   0.381   1.121  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1       -7.913   0.644  -0.160  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.522   0.057  -0.749  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        2.881   0.925  -0.358  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.461  -0.792  -1.286  0.00  0.00    +0.225 C 
ATOM     20  O   LIG    1        3.261  -1.962  -1.586  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.810  -0.165  -1.474  0.00  0.00    +0.089 C 
ATOM     22  C   LIG    1        5.575  -0.459  -2.761  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        4.944   0.884  -2.577  0.00  0.00    +0.024 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.595   0.048  -0.190  0.00  0.00    +0.056 A 
ATOM     25  N   LIG    1        5.452   1.238   0.456  0.00  0.00    -0.259 NA
ATOM     26  C   LIG    1        6.140   1.425   1.605  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        6.972   0.476   2.170  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        7.108  -0.741   1.518  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        6.414  -0.958   0.330  0.00  0.00    +0.024 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 5