REMARK  Name = BDB048736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.949   1.903  -2.116  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1       -0.462   2.017  -1.991  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1       -0.954   3.017  -2.741  0.00  0.00    -0.170 NA
ATOM      4  N   LIG    1        0.135   3.534  -3.334  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1        0.012   4.319  -3.966  0.00  0.00    +0.188 HD
ATOM      6  C   LIG    1        1.297   2.906  -2.993  0.00  0.00    +0.113 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.421   1.147  -1.114  0.00  0.00    +0.160 A 
ATOM      8  N   LIG    1       -2.775   1.364  -1.086  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1       -3.241   2.085  -1.618  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -3.340   0.452  -0.237  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1       -2.263  -0.297   0.222  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1       -2.497  -1.342   1.126  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -3.815  -1.599   1.540  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -4.882  -0.830   1.065  0.00  0.00    +0.122 A 
ATOM     15  C   LIG    1       -4.658   0.218   0.159  0.00  0.00    +0.073 A 
ATOM     16  N   LIG    1       -1.083   0.145  -0.326  0.00  0.00    -0.226 NA
BRANCH  14  17
ATOM     17  O   LIG    1       -6.199  -0.997   1.405  0.00  0.00    -0.495 OA
ATOM     18  C   LIG    1       -6.504  -2.048   2.313  0.00  0.00    +0.277 C 
ENDBRANCH  14  17
ENDBRANCH   2   7
BRANCH   1  20
ATOM     19  C   LIG    1        3.170   0.989  -1.530  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1        1.826   0.968  -1.488  0.00  0.00    +0.012 C 
BRANCH  19  23
ATOM     21  C   LIG    1        4.579  -1.473   0.986  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        3.706  -0.568   0.384  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1        4.028   0.004  -0.855  0.00  0.00    -0.003 A 
ATOM     24  C   LIG    1        5.252  -0.350  -1.421  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        6.129  -1.219  -0.867  0.00  0.00    -0.259 NA
ATOM     26  C   LIG    1        5.766  -1.758   0.320  0.00  0.00    +0.156 A 
BRANCH  21  28
ATOM     27  C   LIG    1        3.163  -1.864   2.851  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        4.392  -2.110   2.179  0.00  0.00    -0.494 OA
ENDBRANCH  21  28
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 5