REMARK  Name = BDB047288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.712  -0.842   0.144  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -1.589  -0.056  -0.182  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1       -1.729   1.339  -0.361  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -2.967   1.954  -0.095  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -4.063   1.202   0.323  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -3.930  -0.187   0.424  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -5.389   1.820   0.635  0.00  0.00    +0.163 C 
ATOM      8  O   LIG    1       -6.339   1.091   0.919  0.00  0.00    -0.292 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -5.515   3.334   0.592  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1       -6.894   3.811   1.018  0.00  0.00    +0.012 C 
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1       -2.746  -2.357   0.156  0.00  0.00    +0.038 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -3.362  -2.723  -2.288  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -2.368  -3.021  -1.173  0.00  0.00    +0.001 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  O   LIG    1       -0.343  -0.564  -0.446  0.00  0.00    -0.472 OA
BRANCH  14  15
ATOM     15  C   LIG    1        0.282  -1.323   0.592  0.00  0.00    +0.311 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.747  -1.510   0.191  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        2.538  -0.426  -0.216  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        3.882  -0.604  -0.563  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        4.461  -1.870  -0.511  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        3.683  -2.952  -0.095  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        2.341  -2.779   0.254  0.00  0.00    +0.011 A 
BRANCH  19  22
ATOM     22  O   LIG    1        5.753  -2.189  -0.818  0.00  0.00    -0.489 OA
BRANCH  22  23
ATOM     23  C   LIG    1        6.607  -1.188  -1.381  0.00  0.00    +0.167 C 
ATOM     24  C   LIG    1        7.632  -1.920  -2.245  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1        7.316  -0.426  -0.265  0.00  0.00    +0.051 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  15  16
BRANCH  15  26
ATOM     26  C   LIG    1        0.201  -0.826   2.055  0.00  0.00    +0.351 C 
ATOM     27  O   LIG    1       -0.116   0.280   2.464  0.00  0.00    -0.246 OA
BRANCH  26  28
ATOM     28  O   LIG    1        0.523  -1.791   2.951  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1        0.448  -1.337   3.817  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  15  26
ENDBRANCH  14  15
ENDBRANCH   2  14
BRANCH   3  30
ATOM     30  C   LIG    1       -0.593   2.211  -0.862  0.00  0.00    +0.038 C 
BRANCH  30  31
ATOM     31  C   LIG    1        0.278   2.841   0.229  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1       -0.442   3.877   1.079  0.00  0.00    +0.004 C 
ENDBRANCH  30  31
ENDBRANCH   3  30
TORSDOF 13