REMARK  Name = BDB012898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.532  -0.179  -1.334  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.674  -0.105  -0.252  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.759  -0.281  -0.446  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.361  -0.207   0.963  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.383   0.713   1.689  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.965   0.297   1.114  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.079  -0.307  -2.473  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.117  -0.022  -0.568  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        5.088   0.244  -1.878  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.787   0.163  -2.195  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.507   0.292  -3.163  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.957  -0.085  -1.132  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.813  -0.243  -0.060  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.337  -1.173  -0.332  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        6.415  -0.069   0.189  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        7.130   1.284   0.175  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.724   0.287   0.994  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -2.882   1.282   1.097  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -3.773  -0.520   0.608  0.00  0.00    +0.217 C 
ATOM     20  O   LIG    1       -3.622  -1.700   0.314  0.00  0.00    -0.276 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.125   0.191   0.580  0.00  0.00    +0.079 C 
ATOM     22  C   LIG    1       -5.178   1.232  -0.545  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -5.382   0.572  -1.903  0.00  0.00    +0.160 C 
ATOM     24  O   LIG    1       -6.561  -0.227  -1.888  0.00  0.00    -0.380 OA
ATOM     25  C   LIG    1       -6.453  -1.317  -0.973  0.00  0.00    +0.160 C 
ATOM     26  C   LIG    1       -6.287  -0.802   0.452  0.00  0.00    +0.041 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4