REMARK  Name = BDB054652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.377  -1.522  -0.489  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.473  -0.814   0.084  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -2.484  -1.641   0.383  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -2.106  -2.860  -0.070  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.843  -2.820  -0.601  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.602   0.616   0.360  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -2.011   1.050   1.626  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -2.100   2.416   1.911  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.777   3.365   0.935  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -1.908   4.831   1.228  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -1.398   2.930  -0.341  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.312   1.565  -0.627  0.00  0.00    +0.010 A 
ENDBRANCH   2   6
BRANCH   4  13
ATOM     13  C   LIG    1       -2.974  -3.982   0.046  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -2.591  -5.250  -0.414  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.464  -6.335  -0.286  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.718  -6.163   0.296  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.107  -4.906   0.754  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.240  -3.818   0.630  0.00  0.00    +0.028 A 
ENDBRANCH   4  13
BRANCH   1  21
ATOM     19  N   LIG    1        1.453  -0.005  -0.239  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        0.893   0.352   0.523  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        0.953  -1.098  -0.921  0.00  0.00    +0.252 C 
ATOM     22  O   LIG    1        1.543  -1.726  -1.792  0.00  0.00    -0.270 OA
BRANCH  19  26
ATOM     23  C   LIG    1        5.055   2.147  -0.756  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        4.136   2.493   0.232  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        2.952   1.758   0.378  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        2.671   0.669  -0.457  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        3.592   0.330  -1.446  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        4.774   1.065  -1.591  0.00  0.00    +0.047 A 
BRANCH  23  30
ATOM     29  C   LIG    1        6.578   3.877  -0.176  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        6.242   2.775  -1.009  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 5