REMARK  Name = BDB051961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.168   1.583   0.412  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -0.944   2.289   0.546  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -0.930   3.682   0.632  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.136   4.393   0.602  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.349   3.703   0.493  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -3.364   2.307   0.408  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        0.214   1.486   0.539  0.00  0.00    -0.280 N 
ATOM      8  H   LIG    1        0.004   0.500   0.422  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.528   1.855   0.697  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        1.923   2.976   0.992  0.00  0.00    -0.270 OA
BRANCH   9  11
ATOM     11  C   LIG    1        2.467   0.740   0.541  0.00  0.00    +0.063 A 
ATOM     12  C   LIG    1        2.415  -0.415  -0.299  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.560  -1.197  -0.041  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1        3.737  -2.427  -0.713  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        2.791  -2.847  -1.653  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        1.683  -2.070  -1.941  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1        4.336  -0.510   0.908  0.00  0.00    -0.287 N 
ATOM     18  C   LIG    1        5.583  -0.826   1.499  0.00  0.00    +0.229 C 
ATOM     19  O   LIG    1        6.045  -0.077   2.355  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        6.278  -2.066   1.050  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1        1.491  -0.859  -1.278  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        3.656   0.653   1.230  0.00  0.00    +0.108 A 
ENDBRANCH   9  11
ENDBRANCH   2   7
BRANCH   1  23
ATOM     23  N   LIG    1       -2.111   0.166   0.424  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1       -1.991  -0.121   1.399  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.232  -0.561  -0.175  0.00  0.00    +0.101 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.833  -2.029  -0.334  0.00  0.00    +0.018 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -3.559  -4.305  -1.132  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -3.956  -2.847  -0.970  0.00  0.00    -0.002 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  23
BRANCH   4  29
ATOM     29  C   LIG    1       -2.086   5.873   0.690  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -1.085   6.559   0.764  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -3.309   6.436   0.682  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -3.116   7.395   0.746  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH   4  29
TORSDOF 8