REMARK  Name = BDB062320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.625  -0.216  -0.735  0.00  0.00    +0.031 C 
ATOM      2  C   LIG    1        0.650   0.353   0.307  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -0.780   0.180  -0.135  0.00  0.00    -0.033 A 
ATOM      4  C   LIG    1       -1.123   0.109  -1.493  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -2.462  -0.036  -1.881  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -3.472  -0.101  -0.915  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -4.863  -0.250  -1.308  0.00  0.00    +0.011 C 
ATOM      8  C   LIG    1       -5.781  -0.304  -0.339  0.00  0.00    +0.020 C 
ATOM      9  C   LIG    1       -5.446  -0.217   1.133  0.00  0.00    +0.123 C 
ATOM     10  C   LIG    1       -5.908  -1.500   1.833  0.00  0.00    +0.060 C 
ATOM     11  C   LIG    1       -6.164   0.992   1.744  0.00  0.00    +0.060 C 
ATOM     12  O   LIG    1       -4.047  -0.061   1.452  0.00  0.00    -0.482 OA
ATOM     13  C   LIG    1       -3.136  -0.016   0.436  0.00  0.00    +0.129 A 
ATOM     14  C   LIG    1       -0.072   0.197  -2.543  0.00  0.00    +0.164 C 
ATOM     15  O   LIG    1       -0.378   0.150  -3.731  0.00  0.00    -0.292 OA
ATOM     16  C   LIG    1       -1.801   0.128   0.824  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        1.359   0.413  -2.104  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        5.766   0.196   0.531  0.00  0.00    +0.161 A 
ATOM     19  C   LIG    1        4.987   1.330   0.268  0.00  0.00    +0.159 A 
ATOM     20  C   LIG    1        3.656   1.216  -0.141  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1        3.070  -0.049  -0.299  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        3.851  -1.183  -0.035  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        5.185  -1.063   0.376  0.00  0.00    +0.049 A 
BRANCH  18  25
ATOM     24  C   LIG    1        7.874  -0.709   1.182  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        7.057   0.424   0.928  0.00  0.00    -0.491 OA
ENDBRANCH  18  25
BRANCH  19  26
ATOM     26  O   LIG    1        5.546   2.572   0.418  0.00  0.00    -0.503 OA
ATOM     27  H   LIG    1        4.901   3.248   0.161  0.00  0.00    +0.292 HD
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 3