REMARK  Name = BDB012599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.246   1.010  -0.418  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        0.004   2.286  -0.804  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1       -1.266   2.729  -0.736  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -2.325   1.958  -0.296  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.077   0.642   0.097  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.764   0.164   0.034  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        4.561  -1.320   0.389  0.00  0.00    +0.150 C 
ATOM      8  N   LIG    1        3.524  -0.468  -0.134  0.00  0.00    -0.339 N 
ATOM      9  C   LIG    1        2.226  -0.407   0.289  0.00  0.00    +0.116 A 
ATOM     10  C   LIG    1        1.634   0.563  -0.500  0.00  0.00    +0.107 A 
ATOM     11  N   LIG    1        2.560   1.071  -1.390  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1        3.681   0.435  -1.143  0.00  0.00    +0.199 A 
ENDBRANCH   1  10
BRANCH   5  13
ATOM     13  C   LIG    1       -3.178  -0.187   0.554  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1       -4.456   0.281   0.738  0.00  0.00    -0.130 NA
ATOM     15  N   LIG    1       -5.215  -0.724   1.153  0.00  0.00    -0.068 NA
ATOM     16  N   LIG    1       -4.434  -1.810   1.227  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -4.846  -2.686   1.526  0.00  0.00    +0.190 HD
ATOM     18  C   LIG    1       -3.150  -1.528   0.865  0.00  0.00    +0.135 A 
ENDBRANCH   5  13
TORSDOF 2