REMARK  Name = BDB048248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.591   0.770  -0.500  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.239   0.444  -0.305  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.627  -0.331  -1.269  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        1.328  -0.758  -2.404  0.00  0.00    +0.068 A 
ATOM      5  N   LIG    1        0.471  -1.510  -3.203  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1        0.685  -1.947  -4.085  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1       -0.789  -1.572  -2.582  0.00  0.00    +0.334 A 
ATOM      8  O   LIG    1       -1.768  -2.158  -3.021  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        2.649  -0.442  -2.629  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.674  -0.837  -1.383  0.00  0.00    -0.230 N 
ATOM     11  C   LIG    1        3.286   0.338  -1.658  0.00  0.00    +0.015 A 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1       -1.685  -0.666  -0.475  0.00  0.00    +0.218 A 
ATOM     13  N   LIG    1       -2.936  -1.202  -0.683  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1       -3.194  -1.746  -1.496  0.00  0.00    +0.169 HD
ATOM     15  C   LIG    1       -3.737  -0.875   0.378  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1       -2.908  -0.131   1.208  0.00  0.00    +0.091 A 
ATOM     17  C   LIG    1       -3.420   0.376   2.410  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -4.757   0.111   2.735  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.566  -0.641   1.879  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -5.072  -1.155   0.674  0.00  0.00    +0.028 A 
ATOM     21  N   LIG    1       -1.650  -0.014   0.669  0.00  0.00    -0.212 NA
ENDBRANCH  10  12
BRANCH   1  25
ATOM     22  C   LIG    1        5.324   2.010   1.791  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        4.608   1.346   0.731  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        4.987   0.476   0.382  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        3.268   1.608   0.527  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        2.636   2.450   1.153  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 2