REMARK  Name = BDB048374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.376   5.712  -0.843  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        0.286   4.674  -0.906  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.613   3.378  -0.525  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.455   2.374  -0.695  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.137   1.128   0.051  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.908  -0.043   0.284  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.206  -0.926   1.004  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1        0.990  -0.343   1.223  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1        1.073   0.895   0.666  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        2.205   1.849   0.696  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        2.005   2.883  -0.433  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -0.846   4.988  -1.275  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -2.173  -0.173  -0.186  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -2.568   0.618  -0.679  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.107  -1.232  -0.100  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -4.376  -1.056  -0.683  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -5.359  -2.059  -0.635  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1       -6.689  -1.850  -1.295  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -5.058  -3.272  -0.014  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -3.808  -3.466   0.568  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.845  -2.453   0.526  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1        1.988  -1.039   2.028  0.00  0.00    +0.179 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.116  -1.599   1.194  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        2.858  -2.458   0.114  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.906  -2.985  -0.642  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.225  -2.669  -0.321  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.497  -1.830   0.758  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.449  -1.301   1.515  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 4