REMARK  Name = BDB002248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.163  -0.335  -2.003  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1       -0.044  -1.177  -0.939  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.871  -1.101  -0.368  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.218  -0.320  -2.628  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  17
ATOM      5  C   LIG    1       -0.132   1.240  -4.714  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1       -0.982   1.264  -3.498  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -2.136   2.163  -3.420  0.00  0.00    +0.336 C 
ATOM      8  O   LIG    1       -2.501   2.927  -4.294  0.00  0.00    -0.245 OA
ATOM      9  O   LIG    1       -2.732   2.021  -2.209  0.00  0.00    -0.450 OA
ATOM     10  C   LIG    1       -2.076   0.980  -1.454  0.00  0.00    +0.144 C 
ATOM     11  C   LIG    1       -3.127  -0.138  -1.261  0.00  0.00    +0.053 C 
ATOM     12  C   LIG    1       -3.800  -0.103   0.116  0.00  0.00    +0.007 C 
ATOM     13  C   LIG    1       -4.092   1.330   0.563  0.00  0.00    -0.014 C 
ATOM     14  C   LIG    1       -4.894   1.351   1.863  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -2.798   2.149   0.706  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -1.627   1.617  -0.130  0.00  0.00    +0.053 C 
ATOM     17  C   LIG    1       -0.943   0.592  -2.342  0.00  0.00    +0.067 C 
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  C   LIG    1        1.024  -2.032  -0.422  0.00  0.00    +0.070 C 
ATOM     19  C   LIG    1        0.408  -3.278   0.211  0.00  0.00    +0.028 C 
BRANCH  18  20
ATOM     20  C   LIG    1        1.890  -1.234   0.568  0.00  0.00    +0.026 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.155  -1.982   0.997  0.00  0.00    +0.037 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.012  -1.137   1.907  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1        4.929  -0.223   1.369  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        5.710   0.573   2.208  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.579   0.466   3.592  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.665  -0.435   4.137  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.883  -1.231   3.299  0.00  0.00    +0.003 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5