REMARK  Name = BDB060578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.497  -0.427   1.287  0.00  0.00    +0.261 C 
ATOM      2  N   LIG    1        0.772  -0.298   0.774  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        1.043   0.597   0.399  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.791  -1.266   2.132  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1       -2.612   1.054   1.302  0.00  0.00    -0.007 A 
ATOM      6  C   LIG    1       -3.201   1.951   0.327  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -2.366   1.910  -0.787  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -2.459   2.603  -2.103  0.00  0.00    +0.064 C 
ATOM      9  N   LIG    1       -1.334   1.055  -0.522  0.00  0.00    -0.354 N 
ATOM     10  H   LIG    1       -0.607   0.796  -1.177  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -1.442   0.535   0.743  0.00  0.00    +0.106 A 
BRANCH   6  12
ATOM     12  C   LIG    1       -4.428   2.773   0.374  0.00  0.00    +0.162 C 
ATOM     13  O   LIG    1       -4.902   3.274  -0.649  0.00  0.00    -0.292 OA
ATOM     14  C   LIG    1       -5.120   3.031   1.684  0.00  0.00    +0.091 C 
ENDBRANCH   6  12
BRANCH   5  16
ATOM     15  C   LIG    1       -4.114  -0.468   2.622  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -3.123   0.686   2.667  0.00  0.00    +0.035 C 
ENDBRANCH   5  16
ENDBRANCH   1  11
BRANCH   2  17
ATOM     17  C   LIG    1        1.847  -1.139   1.250  0.00  0.00    +0.144 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.067  -1.020   0.359  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        3.199  -1.755  -0.873  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        4.397  -1.578  -1.621  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1        4.606  -2.272  -2.825  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        3.652  -3.148  -3.329  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        2.467  -3.340  -2.636  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        5.396  -0.702  -1.176  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        5.245   0.023  -0.002  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        2.245  -2.656  -1.436  0.00  0.00    +0.125 A 
ATOM     27  C   LIG    1        4.089  -0.134   0.751  0.00  0.00    +0.122 A 
BRANCH  26  28
ATOM     28  O   LIG    1        1.048  -2.871  -0.806  0.00  0.00    -0.506 OA
ATOM     29  H   LIG    1        0.549  -3.566  -1.264  0.00  0.00    +0.292 HD
ENDBRANCH  26  28
BRANCH  27  30
ATOM     30  O   LIG    1        3.938   0.599   1.896  0.00  0.00    -0.506 OA
ATOM     31  H   LIG    1        4.753   1.100   2.066  0.00  0.00    +0.292 HD
ENDBRANCH  27  30
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 7