REMARK  Name = BDB012864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.209   0.219  -1.662  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -1.232  -0.297  -0.830  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.127  -0.472  -1.329  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        0.844  -1.232  -0.208  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.167  -0.683   1.047  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -1.285  -0.527   0.606  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.933   0.526  -2.823  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -5.584   0.519  -0.245  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -5.662   1.269  -1.349  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -4.442   1.164  -1.897  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -4.252   1.637  -2.775  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -3.556   0.404  -1.176  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -4.293  -0.048  -0.099  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.212   1.678   1.276  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.767   0.347   0.665  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -7.936  -0.338  -0.044  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.294  -1.171  -0.203  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        2.787  -2.039  -0.039  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.013   0.005  -0.138  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        2.500   1.116  -0.091  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.496  -0.133  -0.080  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        5.218   0.861   0.599  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        6.611   0.730   0.659  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        7.293  -0.332   0.066  0.00  0.00    -0.000 A 
ATOM     25  C   LIG    1        8.677  -0.138   0.328  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        8.807   1.020   1.060  0.00  0.00    +0.083 A 
ATOM     27  C   LIG    1        6.555  -1.310  -0.629  0.00  0.00    +0.011 A 
ATOM     28  N   LIG    1        7.554   1.539   1.251  0.00  0.00    -0.361 N 
ATOM     29  H   LIG    1        7.346   2.393   1.751  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1        5.159  -1.199  -0.700  0.00  0.00    +0.014 A 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4