REMARK  Name = BDB051971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.084   1.660   1.254  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -2.153   0.803   1.606  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -3.349   1.349   2.083  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.481   2.733   2.216  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -2.420   3.580   1.871  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -1.218   3.041   1.390  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.244   1.558   0.317  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1        0.080   1.012   0.796  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1       -0.032   0.004   0.763  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        1.458   2.754   0.155  0.00  0.00    -0.270 OA
BRANCH   7  19
ATOM     11  C   LIG    1        5.294   0.784  -3.035  0.00  0.00    +0.113 C 
ATOM     12  C   LIG    1        5.031  -0.433  -2.199  0.00  0.00    +0.229 C 
ATOM     13  N   LIG    1        3.981  -0.311  -1.258  0.00  0.00    -0.287 N 
ATOM     14  C   LIG    1        3.555  -1.292  -0.354  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        2.501  -0.761   0.406  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.948  -1.559   1.436  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        2.416  -2.857   1.655  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.438  -3.374   0.874  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        2.246   0.561  -0.077  0.00  0.00    +0.063 A 
ATOM     20  C   LIG    1        4.024  -2.603  -0.132  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        3.188   0.803  -1.059  0.00  0.00    +0.108 A 
ATOM     22  O   LIG    1        5.662  -1.478  -2.304  0.00  0.00    -0.273 OA
ENDBRANCH   7  19
ENDBRANCH   1   8
BRANCH   2  23
ATOM     23  N   LIG    1       -2.004  -0.606   1.430  0.00  0.00    -0.340 N 
ATOM     24  H   LIG    1       -2.363  -1.043   2.282  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.790  -1.119   0.296  0.00  0.00    +0.070 C 
ATOM     26  C   LIG    1       -2.755  -2.648   0.285  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1       -3.060  -3.042  -1.158  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -2.822  -1.790  -2.001  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -2.178  -0.781  -1.060  0.00  0.00    +0.022 C 
ENDBRANCH  23  25
ENDBRANCH   2  23
BRANCH   5  30
ATOM     30  C   LIG    1       -2.527   5.055   2.003  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1       -1.662   5.867   1.738  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -3.727   5.449   2.466  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -3.647   6.426   2.499  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH   5  30
TORSDOF 6