REMARK  Name = BDB061324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.829   1.668   1.354  0.00  0.00    +0.233 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.263   2.367   0.537  0.00  0.00    +0.076 C 
BRANCH   2   6
ATOM      3  C   LIG    1       -4.196   0.693   1.239  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -3.303   0.058   0.383  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.035   0.605   0.151  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.638   1.791   0.780  0.00  0.00    -0.044 A 
ATOM      7  C   LIG    1       -2.529   2.414   1.659  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -3.793   1.865   1.886  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -5.456   0.282   1.559  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -7.602  -0.622   1.374  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -6.210  -0.596   0.712  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -6.363   0.006  -0.696  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.727  -2.070   0.697  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -4.879  -2.536   1.446  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.347  -2.864  -0.213  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -7.048  -2.443  -0.742  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1        1.124   0.362   0.853  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.015   0.225  -0.172  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.255  -1.099  -0.552  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        3.141  -1.394  -1.591  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.817  -0.368  -2.255  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        3.551   0.957  -1.894  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        2.663   1.254  -0.853  0.00  0.00    +0.048 A 
BRANCH  21  24
ATOM     24  N   LIG    1        4.681  -0.659  -3.328  0.00  0.00    -0.149 NA
ATOM     25  N   LIG    1        5.914  -0.827  -3.132  0.00  0.00    -0.149 NA
BRANCH  25  26
ATOM     26  C   LIG    1        6.453  -0.735  -1.834  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1        6.549  -1.871  -1.021  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        7.119  -1.787   0.251  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        7.615  -0.569   0.712  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.552   0.563  -0.100  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        6.981   0.476  -1.371  0.00  0.00    +0.029 A 
ENDBRANCH  25  26
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10