REMARK  Name = BDB046577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.279  -1.460  -0.659  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -0.489  -1.609  -1.806  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1        0.889  -1.808  -1.694  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        1.497  -1.854  -0.435  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.709  -1.725   0.716  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.670  -1.526   0.602  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.969  -2.067  -0.366  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        3.608  -1.548   0.740  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        3.118  -0.875   1.311  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        3.549  -2.648  -1.276  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        5.051  -1.552   0.847  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.616  -0.201   0.492  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        5.966   0.717   1.493  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        6.469   1.974   1.154  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.622   2.328  -0.186  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.269   1.426  -1.189  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.767   0.169  -0.852  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -2.769  -1.239  -0.779  0.00  0.00    +0.049 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.206   0.196  -0.443  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.716   0.184  -0.304  0.00  0.00    +0.310 C 
ATOM     21  O   LIG    1       -5.493  -0.138  -1.193  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -5.079   0.581   0.947  0.00  0.00    -0.465 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -6.742   1.079   2.588  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1       -6.494   0.612   1.167  0.00  0.00    +0.229 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  19  20
BRANCH  19  25
ATOM     25  C   LIG    1       -2.788   1.211  -1.519  0.00  0.00    +0.011 C 
ATOM     26  C   LIG    1       -3.110   2.648  -1.127  0.00  0.00    +0.004 C 
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9