REMARK  Name = BDB047397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.251   1.211   2.074  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.269   1.037   1.941  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -1.095   0.903   2.687  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -1.226   0.436   4.001  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -2.483   0.137   4.513  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -3.580   0.306   3.688  0.00  0.00    +0.114 A 
ATOM      7  N   LIG    1       -3.501   0.744   2.414  0.00  0.00    -0.221 NA
BRANCH   2   8
ATOM      8  O   LIG    1       -2.131   1.465   0.636  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -3.334   1.611  -0.119  0.00  0.00    +0.231 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.430   0.522  -1.188  0.00  0.00    +0.041 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.630  -0.877  -0.599  0.00  0.00    +0.003 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -4.942  -1.881  -2.547  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -3.708  -1.976  -1.662  0.00  0.00    -0.003 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  O   LIG    1        1.201   1.499   3.111  0.00  0.00    -0.387 OA
ATOM     15  H   LIG    1        2.051   1.657   2.665  0.00  0.00    +0.210 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1        0.760   0.029   1.224  0.00  0.00    +0.063 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.960   0.404   0.390  0.00  0.00    -0.028 C 
ATOM     18  C   LIG    1        3.178  -0.142   0.536  0.00  0.00    -0.031 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.367   0.230  -0.305  0.00  0.00    +0.027 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.830  -0.953  -1.161  0.00  0.00    +0.015 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.078  -0.628  -1.981  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.802   0.311  -3.125  0.00  0.00    +0.305 C 
ATOM     23  O   LIG    1        4.720   0.700  -3.526  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1        6.939   0.706  -3.732  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1        6.632   1.291  -4.456  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 14