REMARK  Name = BDB064751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.934   0.160  -1.233  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1       -0.947  -0.629  -2.390  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1        0.241  -1.069  -2.966  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.464  -0.714  -2.396  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        1.507   0.076  -1.240  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        0.302   0.519  -0.674  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.974  -0.233   0.068  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1       -2.155   0.621  -0.564  0.00  0.00    +0.016 C 
BRANCH   7  11
ATOM      9  N   LIG    1       -4.899  -0.705   1.384  0.00  0.00    -0.312 N 
ATOM     10  H   LIG    1       -4.574  -1.662   1.358  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -4.193   0.280   0.740  0.00  0.00    +0.237 C 
ATOM     12  O   LIG    1       -4.517   1.458   0.700  0.00  0.00    -0.271 OA
BRANCH   9  13
ATOM     13  C   LIG    1       -6.138  -0.432   2.084  0.00  0.00    +0.104 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -7.589   0.004   0.039  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -7.365  -0.851   1.277  0.00  0.00    +0.015 C 
ENDBRANCH  13  15
ENDBRANCH   9  13
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -2.103  -0.995  -3.023  0.00  0.00    -0.506 OA
ATOM     17  H   LIG    1       -2.827  -0.449  -2.674  0.00  0.00    +0.292 HD
ENDBRANCH   2  16
BRANCH   5  18
ATOM     18  C   LIG    1        2.775   0.499  -0.629  0.00  0.00    +0.008 C 
ATOM     19  C   LIG    1        3.845  -0.303  -0.505  0.00  0.00    +0.009 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.118   0.114   0.101  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        6.315  -0.364  -0.447  0.00  0.00    +0.053 A 
ATOM     22  C   LIG    1        7.537  -0.011   0.120  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        7.594   0.809   1.240  0.00  0.00    +0.090 A 
ATOM     24  C   LIG    1        6.406   1.270   1.794  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        5.172   0.929   1.242  0.00  0.00    +0.053 A 
BRANCH  22  26
ATOM     26  O   LIG    1        8.671  -0.499  -0.461  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1        9.438  -0.166   0.034  0.00  0.00    +0.292 HD
ENDBRANCH  22  26
BRANCH  24  28
ATOM     28  O   LIG    1        6.493   2.063   2.901  0.00  0.00    -0.507 OA
ATOM     29  H   LIG    1        5.595   2.308   3.182  0.00  0.00    +0.292 HD
ENDBRANCH  24  28
ENDBRANCH  19  20
ENDBRANCH   5  18
TORSDOF 9