REMARK  Name = BDB012953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.977   0.474  -1.091  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.988   0.430  -0.121  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.394   0.722  -0.480  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.189   0.484   0.810  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.381  -0.617   1.493  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.058  -0.226   1.179  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.698   0.708  -2.265  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.462  -0.358  -0.490  0.00  0.00    +0.139 A 
ATOM      9  N   LIG    1        5.192   0.301   0.630  0.00  0.00    -0.159 NA
ATOM     10  N   LIG    1        3.915   0.682   0.474  0.00  0.00    -0.271 N 
ATOM     11  H   LIG    1        3.500   1.268   1.190  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        3.331   0.226  -0.674  0.00  0.00    +0.122 A 
ATOM     13  C   LIG    1        4.352  -0.416  -1.350  0.00  0.00    +0.077 A 
BRANCH   8  14
ATOM     14  N   LIG    1        6.656  -0.894  -0.768  0.00  0.00    -0.342 N 
ATOM     15  H   LIG    1        6.927  -1.040  -1.732  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1        7.422  -0.577  -0.183  0.00  0.00    +0.144 HD
ENDBRANCH   8  14
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.570   0.110   0.589  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -2.796  -0.862   0.428  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -3.499   1.059   0.228  0.00  0.00    +0.216 C 
ATOM     20  O   LIG    1       -3.256   2.258   0.182  0.00  0.00    -0.276 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.857   0.569  -0.138  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1       -5.447  -0.715   0.396  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -5.049  -0.621  -1.049  0.00  0.00    +0.013 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4