REMARK  Name = BDB045508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.301   0.332   0.243  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -2.236  -0.739   0.056  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -3.487  -0.170  -0.163  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -4.641  -0.930  -0.378  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -4.510  -2.322  -0.377  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -3.271  -2.940  -0.172  0.00  0.00    -0.036 A 
ATOM      7  N   LIG    1       -3.323   1.192  -0.111  0.00  0.00    -0.354 N 
ATOM      8  H   LIG    1       -4.069   1.864  -0.218  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1       -2.130  -2.147   0.052  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.009   1.522   0.126  0.00  0.00    +0.051 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -1.575   2.912   0.218  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1       -1.697   3.764  -0.886  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.279   5.094  -0.800  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -0.740   5.581   0.390  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -0.618   4.739   1.494  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -1.034   3.409   1.408  0.00  0.00    +0.010 A 
ENDBRANCH  10  11
BRANCH   1  17
ATOM     17  C   LIG    1        0.172   0.186   0.488  0.00  0.00    +0.042 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.986   0.337  -0.800  0.00  0.00    +0.040 C 
BRANCH  18  22
ATOM     19  C   LIG    1        5.228   0.092   0.002  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        4.556   1.313   0.092  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        3.188   1.396  -0.171  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        2.469   0.252  -0.536  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1        3.142  -0.972  -0.621  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        4.514  -1.052  -0.356  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1        7.292  -1.067   0.208  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        6.564   0.152   0.286  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   6  27
ATOM     27  C   LIG    1       -3.160  -4.446  -0.180  0.00  0.00    +0.155 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.616  -5.123   1.096  0.00  0.00    +0.309 C 
ATOM     29  O   LIG    1       -4.105  -4.578   2.073  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -3.438  -6.469   1.052  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -3.044  -6.793   0.220  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   6  27
TORSDOF 8