REMARK  Name = BDB049308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.328  -1.152  -0.697  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1        0.506  -2.049  -1.363  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.893  -1.834  -1.429  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        2.459  -0.681  -0.829  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1        3.866  -0.513  -0.916  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        4.672  -1.448  -1.585  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        4.096  -2.569  -2.169  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.584   0.221  -0.176  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.718  -2.760  -2.090  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        0.206  -0.006  -0.117  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        4.545   0.664  -0.316  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1        5.567   0.351   0.561  0.00  0.00    -0.308 N 
ATOM     13  H   LIG    1        5.717  -0.618   0.813  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        4.192   1.802  -0.596  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1        6.314   1.356   1.246  0.00  0.00    +0.073 C 
ATOM     16  C   LIG    1        7.558   0.999   2.013  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1        7.662   1.780   0.736  0.00  0.00    +0.024 C 
ENDBRANCH  12  15
ENDBRANCH   5  11
BRANCH   1  18
ATOM     18  O   LIG    1       -1.676  -1.435  -0.715  0.00  0.00    -0.455 OA
BRANCH  18  27
ATOM     19  C   LIG    1       -5.717   1.395   0.424  0.00  0.00    +0.164 A 
ATOM     20  C   LIG    1       -5.006   1.211  -0.773  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1       -3.903   0.355  -0.783  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1       -3.495  -0.318   0.390  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -4.209  -0.128   1.587  0.00  0.00    +0.078 A 
ATOM     24  N   LIG    1       -3.873  -0.741   2.736  0.00  0.00    -0.255 NA
ATOM     25  C   LIG    1       -2.814  -1.579   2.734  0.00  0.00    +0.115 A 
ATOM     26  C   LIG    1       -2.046  -1.839   1.621  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1       -2.385  -1.183   0.442  0.00  0.00    +0.139 A 
ATOM     28  C   LIG    1       -5.305   0.723   1.581  0.00  0.00    +0.077 A 
BRANCH  19  30
ATOM     29  C   LIG    1       -7.534   2.461   1.556  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -6.792   2.248   0.363  0.00  0.00    -0.491 OA
ENDBRANCH  19  30
BRANCH  20  31
ATOM     31  O   LIG    1       -5.466   1.901  -1.865  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -4.737   1.782  -3.079  0.00  0.00    +0.277 C 
ENDBRANCH  20  31
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 6