REMARK  Name = BDB048303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.173  -0.612  -0.808  0.00  0.00    +0.174 C 
ATOM      2  C   LIG    1       -0.283  -1.196  -1.903  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   1   3
ATOM      3  O   LIG    1       -2.495  -1.159  -1.007  0.00  0.00    -0.488 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -5.427   1.761  -1.561  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -5.418   0.977  -0.396  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.441  -0.013  -0.173  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -3.454  -0.187  -1.161  0.00  0.00    +0.129 A 
ATOM      8  C   LIG    1       -3.471   0.566  -2.340  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.449   1.540  -2.535  0.00  0.00    +0.007 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.483  -0.815   1.066  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -4.484  -0.193   2.327  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -4.525  -0.947   3.503  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.567  -2.337   3.438  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.569  -2.973   2.200  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.529  -2.217   1.025  0.00  0.00    +0.008 A 
ENDBRANCH   6  10
BRANCH   4  17
ATOM     16  C   LIG    1       -7.695   2.223  -2.528  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -6.502   2.795  -1.777  0.00  0.00    +0.032 C 
ENDBRANCH   4  17
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -0.729  -1.007   0.610  0.00  0.00    +0.085 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.601  -0.398   1.044  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.670  -1.074   0.388  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.941  -0.647   0.658  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.945  -1.333  -0.028  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        5.304  -1.011   0.138  0.00  0.00    -0.044 A 
ATOM     24  C   LIG    1        6.334  -1.802  -0.621  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        5.657   0.019   1.030  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        4.640   0.707   1.713  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        3.294   0.378   1.531  0.00  0.00    +0.046 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.092   0.436   1.263  0.00  0.00    +0.046 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.516   1.545   0.311  0.00  0.00    +0.125 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.936   1.933   0.583  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1        9.309   2.835   1.315  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        9.825   1.147  -0.052  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       10.697   1.506   0.216  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12