REMARK  Name = BDB048381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.371  -2.096   1.132  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.668  -0.659   0.779  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.586   0.152   0.461  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.243  -0.402   0.176  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.208   0.663   0.224  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.505   1.999   0.363  0.00  0.00    +0.044 A 
ATOM      7  N   LIG    1       -0.324   2.661   0.367  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1       -0.149   3.656   0.461  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1        0.728   1.842   0.221  0.00  0.00    -0.158 NA
ATOM     10  C   LIG    1       -2.863   2.568   0.499  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.211   0.610   0.134  0.00  0.00    +0.150 A 
ATOM     12  C   LIG    1       -3.875   1.524  -0.017  0.00  0.00    +0.114 C 
ATOM     13  O   LIG    1       -5.829  -0.250   0.795  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  11  14
ATOM     14  N   LIG    1        0.875  -0.563  -0.021  0.00  0.00    -0.298 N 
ATOM     15  H   LIG    1        0.324  -1.409  -0.069  0.00  0.00    +0.154 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.255  -0.857  -0.136  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        3.266   0.110  -0.103  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        4.623  -0.235  -0.229  0.00  0.00    -0.049 A 
ATOM     19  C   LIG    1        5.679   0.828  -0.155  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        4.976  -1.579  -0.367  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        3.988  -2.559  -0.403  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.643  -2.199  -0.291  0.00  0.00    +0.023 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
TORSDOF 2