REMARK  Name = BDB064761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.119   0.644  -0.350  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1        0.833   0.138  -0.110  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -0.294   0.977  -0.106  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -0.107   2.348  -0.337  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1        1.165   2.862  -0.595  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.272   2.011  -0.608  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.456  -0.013   0.152  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1        3.253  -0.288  -0.375  0.00  0.00    +0.013 C 
BRANCH   7  12
ATOM      9  C   LIG    1        7.808  -1.524   0.850  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1        6.683  -0.633   0.729  0.00  0.00    -0.315 N 
ATOM     11  H   LIG    1        6.687   0.217   1.274  0.00  0.00    +0.149 HD
ATOM     12  C   LIG    1        5.535  -1.031   0.087  0.00  0.00    +0.237 C 
ATOM     13  O   LIG    1        5.396  -2.109  -0.475  0.00  0.00    -0.271 OA
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  14
ATOM     14  C   LIG    1       -1.598   0.360   0.188  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -2.698   0.573  -0.550  0.00  0.00    +0.009 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.000  -0.041  -0.261  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -5.154   0.749  -0.347  0.00  0.00    +0.053 A 
ATOM     18  C   LIG    1       -6.404   0.183  -0.101  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -6.527  -1.163   0.219  0.00  0.00    +0.090 A 
ATOM     20  C   LIG    1       -5.384  -1.949   0.289  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -4.123  -1.403   0.049  0.00  0.00    +0.053 A 
BRANCH  18  22
ATOM     22  O   LIG    1       -7.545   0.930  -0.166  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1       -7.304   1.845  -0.381  0.00  0.00    +0.292 HD
ENDBRANCH  18  22
BRANCH  20  24
ATOM     24  O   LIG    1       -5.537  -3.270   0.594  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1       -4.664  -3.694   0.593  0.00  0.00    +0.292 HD
ENDBRANCH  20  24
ENDBRANCH  15  16
ENDBRANCH   3  14
BRANCH   4  26
ATOM     26  O   LIG    1       -1.178   3.200  -0.302  0.00  0.00    -0.506 OA
ATOM     27  H   LIG    1       -0.864   4.109  -0.427  0.00  0.00    +0.292 HD
ENDBRANCH   4  26
TORSDOF 7