REMARK  Name = BDB050960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.224   2.373  -0.045  0.00  0.00    +0.109 C 
ATOM      2  N   LIG    1       -0.789   1.383   0.323  0.00  0.00    -0.255 N 
ATOM      3  C   LIG    1       -0.426   0.099   0.688  0.00  0.00    +0.404 C 
ATOM      4  O   LIG    1        0.687  -0.373   0.490  0.00  0.00    -0.226 OA
ATOM      5  C   LIG    1       -2.052   2.004   0.734  0.00  0.00    +0.113 C 
ATOM      6  C   LIG    1       -1.866   3.523   0.503  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -2.497   4.119  -0.755  0.00  0.00    +0.010 C 
ATOM      8  C   LIG    1       -0.341   3.689   0.516  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.294   1.413   0.095  0.00  0.00    -0.027 A 
ATOM     10  C   LIG    1       -4.516   1.471   0.785  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -5.680   0.944   0.223  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.641   0.355  -1.038  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.439   0.293  -1.739  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -3.274   0.820  -1.178  0.00  0.00    +0.005 A 
ENDBRANCH   5   9
BRANCH   1  15
ATOM     15  C   LIG    1        0.530   2.433  -1.568  0.00  0.00    +0.136 C 
BRANCH  15  16
ATOM     16  O   LIG    1        1.338   3.572  -1.869  0.00  0.00    -0.390 OA
ATOM     17  H   LIG    1        1.460   3.602  -2.835  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1        1.173   1.176  -2.172  0.00  0.00    +0.045 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.696   0.973  -2.016  0.00  0.00    +0.074 C 
ATOM     20  C   LIG    1        3.337   1.365  -0.688  0.00  0.00    +0.017 C 
BRANCH  19  23
ATOM     21  N   LIG    1        2.501  -1.407  -1.476  0.00  0.00    -0.315 N 
ATOM     22  H   LIG    1        1.940  -1.083  -0.685  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.058  -0.478  -2.324  0.00  0.00    +0.216 C 
ATOM     24  O   LIG    1        3.800  -0.772  -3.258  0.00  0.00    -0.276 OA
BRANCH  21  25
ATOM     25  C   LIG    1        2.827  -2.815  -1.542  0.00  0.00    +0.104 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.021  -3.170  -0.659  0.00  0.00    +0.018 C 
BRANCH  26  28
ATOM     27  C   LIG    1        4.904  -3.394   1.692  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1        3.723  -2.978   0.831  0.00  0.00    -0.002 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
BRANCH   3  29
ATOM     29  O   LIG    1       -1.443  -0.569   1.284  0.00  0.00    -0.445 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -1.312  -1.954   1.688  0.00  0.00    +0.107 C 
ATOM     31  C   LIG    1       -2.675  -2.307   2.303  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -1.071  -2.860   0.477  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -0.230  -2.126   2.759  0.00  0.00    +0.055 C 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 11