REMARK  Name = BDB048755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.638  -1.300  -1.991  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1        3.700   0.093  -0.795  0.00  0.00    +0.141 A 
ATOM      3  N   LIG    1        3.719   0.659  -2.055  0.00  0.00    -0.331 N 
ATOM      4  C   LIG    1        4.790   1.447  -2.620  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1        2.561   0.292  -2.709  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.189   0.755  -4.069  0.00  0.00    +0.065 C 
ATOM      7  C   LIG    1        1.920  -0.563  -1.834  0.00  0.00    +0.066 A 
ATOM      8  N   LIG    1        2.638  -0.682  -0.670  0.00  0.00    -0.232 NA
BRANCH   2  12
ATOM      9  C   LIG    1        6.657   0.549   2.271  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        6.136   1.674   1.626  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.168   1.541   0.626  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        4.715   0.273   0.245  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        5.226  -0.850   0.909  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        6.194  -0.716   1.911  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1        8.127  -0.288   3.939  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        7.596   0.822   3.226  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   2  12
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1       -0.489  -0.666  -1.181  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.701  -1.367  -1.477  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.838  -0.932  -0.852  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -3.998  -1.622  -1.214  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -5.205  -1.263  -0.633  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -6.556  -1.840  -0.913  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -7.333  -1.361   0.318  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -6.708  -0.009   0.738  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1       -5.281  -0.223   0.299  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1       -4.140   0.480   0.653  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -2.914   0.116   0.079  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -6.918   0.248   2.230  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.701   1.688   2.607  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -6.598   2.649   1.865  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.656   1.854   3.944  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -6.527   2.818   4.062  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9