REMARK  Name = BDB008997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.649   1.133   1.292  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.367   1.063   0.721  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.240   2.183   0.126  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1       -0.468   3.395   0.131  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -1.733   3.486   0.713  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.318   2.363   1.294  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.578   2.086  -0.483  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        2.660   1.540   0.229  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        3.940   1.433  -0.343  0.00  0.00    -0.033 A 
ATOM     10  C   LIG    1        4.135   1.874  -1.656  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        3.075   2.421  -2.378  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        1.810   2.526  -1.796  0.00  0.00    +0.008 A 
BRANCH   9  13
ATOM     13  C   LIG    1        5.076   0.829   0.448  0.00  0.00    +0.116 C 
BRANCH  13  14
ATOM     14  N   LIG    1        4.913  -0.620   0.568  0.00  0.00    -0.309 NA
ATOM     15  H   LIG    1        4.814  -1.012  -0.367  0.00  0.00    +0.123 HD
BRANCH  14  16
ATOM     16  C   LIG    1        6.016  -1.246   1.300  0.00  0.00    +0.054 C 
ATOM     17  C   LIG    1        7.246  -1.699   0.566  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1        6.278  -2.713   1.104  0.00  0.00    +0.020 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -2.264  -0.091   1.931  0.00  0.00    +0.092 C 
BRANCH  19  28
ATOM     20  O   LIG    1       -7.460  -1.092   0.379  0.00  0.00    -0.266 OA
ATOM     21  C   LIG    1       -6.286  -0.897   0.677  0.00  0.00    +0.268 A 
ATOM     22  C   LIG    1       -5.171  -1.387  -0.171  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -5.555  -2.169  -1.397  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -4.379  -2.933  -2.008  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.131  -2.060  -2.060  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -2.731  -1.579  -0.662  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -3.897  -1.133   0.176  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1       -3.685  -0.383   1.455  0.00  0.00    +0.069 A 
ATOM     29  N   LIG    1       -4.653   0.041   2.213  0.00  0.00    -0.175 NA
ATOM     30  N   LIG    1       -5.924  -0.218   1.808  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -6.671   0.122   2.404  0.00  0.00    +0.192 HD
ENDBRANCH  19  28
ENDBRANCH   1  19
TORSDOF 6