REMARK  Name = BDB012216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.501  -1.610   1.616  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.028  -0.481   1.490  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.304  -0.207   1.759  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        1.915   1.127   1.662  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        3.341   1.163   2.233  0.00  0.00    +0.125 C 
ATOM      6  N   LIG    1        4.196   0.145   1.585  0.00  0.00    -0.309 N 
ATOM      7  C   LIG    1        3.579  -1.200   1.470  0.00  0.00    +0.125 C 
ATOM      8  C   LIG    1        2.201  -1.297   2.156  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        5.024   0.563   0.571  0.00  0.00    +0.172 A 
ATOM     10  C   LIG    1        6.061  -0.227  -0.022  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        6.599   0.599  -0.993  0.00  0.00    +0.169 A 
ATOM     12  C   LIG    1        7.645   0.250  -1.844  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        8.179  -1.031  -1.678  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        7.682  -1.896  -0.700  0.00  0.00    +0.001 A 
ATOM     15  O   LIG    1        5.954   1.791  -0.976  0.00  0.00    -0.353 OA
ATOM     16  C   LIG    1        6.626  -1.509   0.139  0.00  0.00    +0.015 A 
ATOM     17  N   LIG    1        4.987   1.780   0.005  0.00  0.00    -0.062 NA
ENDBRANCH   6   9
BRANCH   2  18
ATOM     18  C   LIG    1       -0.886   0.695   1.046  0.00  0.00    +0.096 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.295   0.261   0.642  0.00  0.00    +0.017 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.156   1.459   0.252  0.00  0.00    +0.075 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.500   1.012  -0.273  0.00  0.00    +0.110 A 
ATOM     22  N   LIG    1       -5.372   0.509   0.654  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -5.117   0.443   1.629  0.00  0.00    +0.170 HD
ATOM     24  C   LIG    1       -6.628   0.060   0.338  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1       -7.396  -0.377   1.187  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -6.993   0.142  -1.086  0.00  0.00    +0.065 A 
ATOM     27  C   LIG    1       -6.039   0.666  -1.963  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1       -6.360   0.755  -3.319  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -7.608   0.329  -3.785  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -8.549  -0.192  -2.896  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.244  -0.287  -1.539  0.00  0.00    +0.015 A 
ATOM     32  N   LIG    1       -4.775   1.105  -1.533  0.00  0.00    -0.234 NA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 5