REMARK  Name = BDB012656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.402  -0.026  -0.023  0.00  0.00    -0.294 N 
ATOM      2  H   LIG    1       -0.612   0.127  -1.011  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.908  -0.102   0.331  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        1.951   0.026  -0.637  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        3.114  -0.106   0.099  0.00  0.00    +0.169 A 
ATOM      6  C   LIG    1        4.398  -0.047  -0.435  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        4.485   0.160  -1.816  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        3.336   0.298  -2.600  0.00  0.00    +0.001 A 
ATOM      9  O   LIG    1        2.797  -0.297   1.404  0.00  0.00    -0.353 OA
ATOM     10  C   LIG    1        2.057   0.234  -2.027  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1        1.424  -0.296   1.551  0.00  0.00    -0.062 NA
ENDBRANCH   1   3
BRANCH   1  13
ATOM     12  C   LIG    1       -2.866  -0.006   0.124  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1       -1.595  -0.119   0.730  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -1.615  -0.328   2.111  0.00  0.00    +0.134 A 
ATOM     15  N   LIG    1       -2.734  -0.424   2.877  0.00  0.00    -0.261 NA
ATOM     16  C   LIG    1       -3.917  -0.309   2.253  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1       -4.034  -0.102   0.895  0.00  0.00    +0.036 A 
BRANCH  12  19
ATOM     18  O   LIG    1       -4.174   0.319  -1.873  0.00  0.00    -0.245 OA
ATOM     19  C   LIG    1       -3.088   0.218  -1.330  0.00  0.00    +0.339 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.959   0.309  -2.063  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1       -2.312   0.452  -2.971  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH  12  19
ENDBRANCH   1  13
TORSDOF 4