REMARK  Name = BDB048444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.155  -0.100  -0.951  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.161   0.290  -1.847  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -2.508   0.251  -1.473  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.887  -0.193  -0.199  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -1.882  -0.593   0.692  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.535  -0.555   0.320  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.302  -0.234   0.200  0.00  0.00    -0.001 A 
ATOM      8  C   LIG    1       -5.210  -1.186  -0.308  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -6.551  -1.176   0.109  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -7.000  -0.229   1.029  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.113   0.713   1.540  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.778   0.711   1.130  0.00  0.00    +0.010 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.798  -2.191  -1.249  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1       -4.497  -3.009  -2.016  0.00  0.00    -0.191 NA
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  C   LIG    1        1.289  -0.084  -1.398  0.00  0.00    +0.157 C 
BRANCH  15  17
ATOM     16  C   LIG    1        3.109  -0.292   0.360  0.00  0.00    +0.020 A 
ATOM     17  N   LIG    1        2.205   0.444  -0.386  0.00  0.00    -0.339 N 
ATOM     18  C   LIG    1        2.326   1.793  -0.082  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1        3.323   1.909   0.888  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.653   3.185   1.385  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        2.976   4.309   0.901  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        1.983   4.174  -0.064  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        1.640   2.917  -0.572  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        3.801   0.601   1.156  0.00  0.00    +0.031 A 
BRANCH  16  25
ATOM     25  C   LIG    1        3.265  -1.780   0.287  0.00  0.00    +0.053 C 
BRANCH  25  27
ATOM     26  C   LIG    1        4.420  -3.698  -0.869  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        4.268  -2.187  -0.793  0.00  0.00    +0.003 C 
ENDBRANCH  25  27
ENDBRANCH  16  25
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 6