REMARK  Name = BDB061338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.604  -0.248  -0.440  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        3.865   1.845   1.140  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1        3.087   0.984   1.920  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1        2.002   0.287   1.364  0.00  0.00    -0.007 A 
ATOM      5  C   LIG    1        1.195  -0.644   2.228  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        1.676   0.474   0.008  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        2.434   1.359  -0.763  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        3.513   2.045  -0.196  0.00  0.00    +0.033 A 
BRANCH   2  10
ATOM      9  N   LIG    1        6.097   2.096   1.710  0.00  0.00    -0.149 NA
ATOM     10  N   LIG    1        4.929   2.566   1.716  0.00  0.00    -0.149 NA
BRANCH   9  15
ATOM     11  C   LIG    1        7.283  -2.987  -0.640  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        6.997  -1.653  -0.017  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        7.066  -0.483  -0.784  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        6.766   0.755  -0.210  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        6.364   0.843   1.127  0.00  0.00    +0.086 A 
ATOM     16  C   LIG    1        6.311  -0.325   1.895  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        6.610  -1.565   1.325  0.00  0.00    +0.005 A 
ENDBRANCH   9  15
ENDBRANCH   2  10
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        0.161  -0.103  -1.791  0.00  0.00    +0.233 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.749   1.115  -1.976  0.00  0.00    +0.076 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.099   0.939  -1.322  0.00  0.00    -0.044 A 
ATOM     21  C   LIG    1       -2.273   1.232   0.034  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -3.521   1.059   0.637  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -4.614   0.582  -0.093  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -4.444   0.295  -1.445  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -3.194   0.468  -2.054  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -5.761   0.468   0.634  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -6.899  -0.265   0.171  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -7.907  -0.151   1.332  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1       -6.560  -1.754  -0.009  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -7.621   0.337  -1.050  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -7.498   1.464  -1.502  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -8.507  -0.506  -1.626  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -8.899   0.030  -2.348  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10