REMARK  Name = BDB012850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.767   0.798   1.321  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.196   0.130   0.588  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.601   0.238   0.963  0.00  0.00    +0.117 C 
ATOM      4  C   LIG    1       -2.315  -0.764   0.057  0.00  0.00    +0.057 C 
ATOM      5  C   LIG    1       -1.484  -0.673  -1.227  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1       -0.060  -0.539  -0.697  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        0.440   1.493   2.285  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.253   0.307   0.275  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.338   1.368   1.084  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.075   1.560   1.497  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        2.879   2.309   2.153  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.161   0.690   0.959  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.918  -0.157   0.173  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.490  -0.779   0.625  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.473  -0.262  -0.393  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        6.123   0.747  -1.342  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  C   LIG    1       -3.780  -0.468  -0.112  0.00  0.00    +0.046 A 
ATOM     18  N   LIG    1       -4.122   0.627  -0.828  0.00  0.00    -0.258 NA
ATOM     19  C   LIG    1       -5.445   0.896  -0.962  0.00  0.00    +0.133 A 
ATOM     20  C   LIG    1       -6.471   0.162  -0.373  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -6.089  -0.988   0.312  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -4.737  -1.298   0.466  0.00  0.00    +0.025 A 
BRANCH  20  23
ATOM     23  N   LIG    1       -7.819   0.418  -0.640  0.00  0.00    -0.357 N 
ATOM     24  H   LIG    1       -8.021   1.389  -0.861  0.00  0.00    +0.142 HD
ATOM     25  H   LIG    1       -8.456   0.043   0.056  0.00  0.00    +0.142 HD
ENDBRANCH  20  23
ENDBRANCH   4  17
TORSDOF 4