REMARK  Name = BDB062224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.462  -1.202   1.255  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -0.150  -1.092   1.009  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        0.870  -1.646   1.941  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        0.709  -2.273   2.968  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1        2.031  -1.281   1.345  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1        2.942  -1.546   1.676  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1        1.755  -0.611   0.199  0.00  0.00    +0.192 C 
ATOM      8  N   LIG    1        0.484  -0.483  -0.054  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -4.839   0.194   0.323  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1       -3.743  -0.271   1.059  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -2.563  -0.689   0.425  0.00  0.00    -0.019 A 
ATOM     12  C   LIG    1       -2.511  -0.659  -0.972  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -3.600  -0.197  -1.713  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -4.762   0.231  -1.068  0.00  0.00    +0.045 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -7.052   1.062   0.380  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -5.914   0.575   1.079  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   1  11
BRANCH   7  17
ATOM     17  N   LIG    1        2.731  -0.162  -0.635  0.00  0.00    -0.287 N 
ATOM     18  H   LIG    1        2.371   0.234  -1.497  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1        4.017   0.306  -0.312  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        4.401   0.692   0.978  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        5.708   1.113   1.243  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        6.653   1.148   0.221  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.291   0.766  -1.067  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        4.983   0.349  -1.329  0.00  0.00    +0.023 A 
ENDBRANCH  17  19
ENDBRANCH   7  17
TORSDOF 4