REMARK  Name = BDB045474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.425  -2.311  -0.572  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1       -0.749  -1.214  -0.379  0.00  0.00    +0.108 C 
ATOM      3  C   LIG    1        0.664  -1.301   0.001  0.00  0.00    +0.261 C 
ATOM      4  O   LIG    1        1.218  -2.393   0.139  0.00  0.00    -0.269 OA
ATOM      5  N   LIG    1        1.330  -0.092   0.192  0.00  0.00    -0.206 N 
ATOM      6  C   LIG    1        0.712   1.154   0.039  0.00  0.00    +0.320 C 
ATOM      7  O   LIG    1        1.357   2.199   0.223  0.00  0.00    -0.251 OA
ATOM      8  N   LIG    1       -0.638   1.214  -0.324  0.00  0.00    -0.206 N 
ATOM      9  C   LIG    1       -1.417   0.080  -0.546  0.00  0.00    +0.261 C 
ATOM     10  O   LIG    1       -2.607   0.143  -0.865  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  15
ATOM     11  O   LIG    1       -4.315  -6.996  -1.399  0.00  0.00    -0.288 OA
ATOM     12  C   LIG    1       -3.654  -5.923  -1.209  0.00  0.00    +0.179 A 
ATOM     13  C   LIG    1       -4.224  -4.644  -1.350  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -3.507  -3.456  -1.145  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -2.167  -3.514  -0.784  0.00  0.00    -0.016 A 
ATOM     16  C   LIG    1       -1.555  -4.751  -0.632  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -2.294  -5.924  -0.843  0.00  0.00    +0.051 A 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1        2.659  -0.130   0.550  0.00  0.00    +0.128 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.037  -0.182   0.920  0.00  0.00    -0.019 A 
ATOM     20  C   LIG    1        4.750   1.001   1.124  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        6.097   0.948   1.486  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.729  -0.286   1.644  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.016  -1.468   1.440  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.669  -1.416   1.078  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
ENDBRANCH   5  18
BRANCH   8  25
ATOM     25  C   LIG    1       -1.229   2.448  -0.471  0.00  0.00    +0.128 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.853   3.724  -0.625  0.00  0.00    -0.019 A 
ATOM     27  C   LIG    1       -3.199   3.801  -0.987  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -3.808   5.047  -1.138  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.073   6.214  -0.928  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.727   6.137  -0.567  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.116   4.891  -0.415  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 5