REMARK  Name = BDB011516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.057   0.060   0.372  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1        0.084  -0.482  -0.659  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1        0.487  -0.654  -1.820  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.225  -0.771  -0.275  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1       -1.775  -0.618   1.062  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -1.292   0.239   2.073  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1       -1.912   0.270   3.342  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.015  -0.516   3.641  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.516  -1.355   2.667  0.00  0.00    +0.002 A 
ATOM     10  O   LIG    1       -0.267   1.142   2.056  0.00  0.00    -0.488 OA
ATOM     11  C   LIG    1       -2.905  -1.401   1.408  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        0.445   1.358   0.855  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.510   0.459   0.411  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.349   0.253  -0.294  0.00  0.00    -0.300 N 
ATOM     15  H   LIG    1        2.368   0.063  -1.292  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1        3.502   0.611   1.633  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.798   0.574  -0.448  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.961  -0.578  -1.439  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.444  -0.450   1.083  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.986   0.767   0.422  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.707   1.426   1.156  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.096  -1.278  -1.356  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.221  -0.327  -1.716  0.00  0.00    -0.028 A 
ATOM     24  C   LIG    1       -2.945   1.005  -2.064  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -3.983   1.873  -2.403  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -3.628   3.505  -2.816  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -5.302   1.427  -2.415  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -5.586   0.102  -2.089  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.551  -0.772  -1.746  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5