REMARK  Name = BDB048445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.379   0.416   1.010  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.233  -0.835   0.857  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.621  -0.972   0.965  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.438   0.134   1.239  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.820   1.381   1.415  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.433   1.521   1.306  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.901  -0.005   1.347  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        4.719  -0.492   0.305  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        6.102  -0.652   0.492  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        6.694  -0.306   1.704  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.908   0.193   2.737  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.529   0.337   2.561  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1        4.203  -0.876  -1.032  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1        4.500  -1.929  -1.570  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        3.470   0.085  -1.628  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        3.308   0.873  -1.077  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -1.879   0.598   0.937  0.00  0.00    +0.157 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.561   0.174  -1.466  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1       -2.517  -0.177  -0.128  0.00  0.00    -0.339 N 
ATOM     20  C   LIG    1       -3.223  -1.355   0.077  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -3.709  -1.763  -1.166  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.465  -2.949  -1.254  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -4.714  -3.696  -0.099  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.220  -3.277   1.132  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.467  -2.103   1.243  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -3.288  -0.803  -2.119  0.00  0.00    +0.031 A 
BRANCH  18  27
ATOM     27  C   LIG    1       -1.912   1.392  -2.048  0.00  0.00    +0.053 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -2.213   3.815  -2.668  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -2.878   2.577  -2.086  0.00  0.00    +0.003 C 
ENDBRANCH  27  29
ENDBRANCH  18  27
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7