REMARK  Name = BDB048799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.103  -0.323   0.362  0.00  0.00    -0.036 A 
ATOM      2  C   LIG    1       -1.968   0.213  -0.275  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.946   0.816   0.489  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -1.097   0.871   1.874  0.00  0.00    +0.047 A 
ATOM      5  N   LIG    1        0.015   1.503   2.377  0.00  0.00    -0.360 N 
ATOM      6  H   LIG    1        0.174   1.688   3.358  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1        0.866   1.844   1.363  0.00  0.00    +0.087 A 
ATOM      8  C   LIG    1       -2.218   0.358   2.534  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        0.307   1.432   0.169  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -3.216  -0.237   1.755  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -4.194  -0.974  -0.452  0.00  0.00    +0.155 C 
BRANCH  11  13
ATOM     12  O   LIG    1       -5.570   1.045  -0.310  0.00  0.00    -0.251 OA
ATOM     13  C   LIG    1       -5.393  -0.088  -0.728  0.00  0.00    +0.309 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -6.313  -0.705  -1.514  0.00  0.00    -0.480 OA
ATOM     15  H   LIG    1       -6.066  -1.610  -1.784  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   9  16
ATOM     16  C   LIG    1        0.906   1.604  -1.194  0.00  0.00    +0.042 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.552   0.330  -1.749  0.00  0.00    +0.040 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.848  -0.040  -1.067  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1        4.056   0.544  -1.470  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        5.251   0.211  -0.830  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.249  -0.706   0.220  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.052  -1.288   0.633  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.857  -0.956  -0.006  0.00  0.00    +0.003 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   9  16
TORSDOF 6