REMARK  Name = BDB054657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.957   1.758   0.287  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.024   1.003  -0.280  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -3.058   1.790  -0.606  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -2.723   3.031  -0.179  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -1.464   3.042   0.366  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.104  -0.435  -0.525  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.793  -1.353   0.486  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -1.826  -2.730   0.233  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -2.181  -3.202  -1.031  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -2.511  -2.287  -2.034  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -2.478  -0.913  -1.785  0.00  0.00    +0.013 A 
BRANCH   9  12
ATOM     12  O   LIG    1       -2.244  -4.514  -1.411  0.00  0.00    -0.495 OA
ATOM     13  C   LIG    1       -1.946  -5.487  -0.418  0.00  0.00    +0.277 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   4  14
ATOM     14  C   LIG    1       -3.625   4.122  -0.329  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -4.879   3.905  -0.922  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -5.778   4.962  -1.079  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.434   6.240  -0.647  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.191   6.465  -0.056  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.286   5.412   0.105  0.00  0.00    +0.028 A 
ENDBRANCH   4  14
BRANCH   1  22
ATOM     20  N   LIG    1        0.924   0.302   0.074  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        0.392  -0.072  -0.701  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        0.379   1.383   0.741  0.00  0.00    +0.252 C 
ATOM     23  O   LIG    1        0.935   2.034   1.617  0.00  0.00    -0.270 OA
BRANCH  20  27
ATOM     24  C   LIG    1        4.572  -1.744   0.689  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        3.682  -2.116  -0.319  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        2.483  -1.421  -0.503  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        2.155  -0.338   0.320  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        3.044   0.029   1.330  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1        4.247  -0.669   1.513  0.00  0.00    +0.047 A 
BRANCH  24  30
ATOM     30  O   LIG    1        5.705  -2.505   0.762  0.00  0.00    -0.492 OA
BRANCH  30  32
ATOM     31  C   LIG    1        7.828  -3.114   1.653  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1        6.658  -2.154   1.764  0.00  0.00    +0.225 C 
ENDBRANCH  30  32
ENDBRANCH  24  30
ENDBRANCH  20  27
ENDBRANCH   1  22
TORSDOF 7