REMARK  Name = BDB063792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.058   1.110   0.468  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1       -1.222   0.704  -0.425  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -2.248  -0.130   0.069  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.305  -0.473  -0.784  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -3.345  -0.031  -2.106  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.322   0.780  -2.592  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -2.255  -0.593   1.510  0.00  0.00    +0.120 C 
ATOM      8  N   LIG    1       -0.950  -0.510   2.182  0.00  0.00    -0.311 NA
ATOM      9  H   LIG    1       -0.338  -1.214   1.768  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -1.269   1.149  -1.758  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -0.361   0.816   1.960  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        3.798  -0.523  -0.643  0.00  0.00    +0.158 A 
ATOM     13  C   LIG    1        2.654  -1.306  -0.765  0.00  0.00    +0.158 A 
ATOM     14  C   LIG    1        1.406  -0.804  -0.423  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        1.286   0.513   0.051  0.00  0.00    -0.035 A 
ATOM     16  C   LIG    1        2.454   1.293   0.175  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        3.708   0.779  -0.173  0.00  0.00    +0.049 A 
BRANCH  12  18
ATOM     18  O   LIG    1        4.994  -1.084  -0.997  0.00  0.00    -0.503 OA
ATOM     19  H   LIG    1        5.692  -0.423  -0.848  0.00  0.00    +0.292 HD
ENDBRANCH  12  18
BRANCH  13  20
ATOM     20  O   LIG    1        2.753  -2.588  -1.225  0.00  0.00    -0.503 OA
ATOM     21  H   LIG    1        3.708  -2.713  -1.396  0.00  0.00    +0.292 HD
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH   4  22
ATOM     22  O   LIG    1       -4.317  -1.254  -0.297  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1       -4.952  -1.424  -1.012  0.00  0.00    +0.292 HD
ENDBRANCH   4  22
TORSDOF 4