REMARK  Name = BDB060531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.031  -0.950   0.032  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.487  -0.590  -0.333  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -2.301  -1.468  -1.128  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -3.616  -1.050  -1.479  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -4.440  -1.869  -2.269  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -4.003  -3.110  -2.721  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.734  -3.550  -2.384  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.110   0.184  -1.042  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -3.339   1.016  -0.241  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -1.900  -2.745  -1.601  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -2.059   0.616   0.130  0.00  0.00    +0.136 A 
BRANCH  11  12
ATOM     12  O   LIG    1       -1.282   1.480   0.922  0.00  0.00    -0.426 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -1.780   1.819   2.177  0.00  0.00    +0.309 C 
ATOM     14  O   LIG    1       -2.879   1.546   2.641  0.00  0.00    -0.251 OA
ATOM     15  C   LIG    1       -0.740   2.625   2.898  0.00  0.00    +0.136 C 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1   2
BRANCH   1  19
ATOM     16  C   LIG    1        2.889   2.125  -0.906  0.00  0.00    +0.132 A 
ATOM     17  C   LIG    1        2.819   1.646   0.398  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        1.884   0.659   0.716  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        1.002   0.157  -0.259  0.00  0.00    -0.034 A 
ATOM     20  C   LIG    1        1.092   0.674  -1.569  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        2.024   1.661  -1.892  0.00  0.00    +0.046 A 
BRANCH  16  22
ATOM     22  O   LIG    1        3.796   3.144  -1.197  0.00  0.00    -0.426 OA
BRANCH  22  24
ATOM     23  C   LIG    1        5.836   3.871  -2.103  0.00  0.00    +0.136 C 
ATOM     24  C   LIG    1        4.945   2.694  -1.836  0.00  0.00    +0.309 C 
ATOM     25  O   LIG    1        5.220   1.542  -2.142  0.00  0.00    -0.251 OA
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
BRANCH   1  26
ATOM     26  C   LIG    1        0.070  -1.623   1.410  0.00  0.00    +0.053 A 
ATOM     27  N   LIG    1       -0.387  -0.951   2.501  0.00  0.00    -0.259 NA
ATOM     28  C   LIG    1       -0.317  -1.568   3.700  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        0.221  -2.828   3.886  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        0.712  -3.499   2.775  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        0.636  -2.895   1.522  0.00  0.00    +0.024 A 
ENDBRANCH   1  26
TORSDOF 7