REMARK  Name = BDB032732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.654  -1.817  -1.525  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -1.468  -0.701  -1.283  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.662  -0.906  -0.616  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.684   0.072  -0.229  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.723  -0.642   0.350  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.384  -2.047   0.528  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.586   1.273  -0.387  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.075  -2.162  -0.178  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -2.283  -3.273  -0.402  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -1.069  -3.094  -1.078  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.834  -0.033   1.073  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.385   0.486   2.448  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.484  -0.030   3.108  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.135   1.510   2.980  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.860   1.828   3.899  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.270   2.082   2.462  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.919   2.898   3.110  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.721   1.587   1.107  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.549   1.068   0.290  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.668  -1.645  -2.232  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.558  -0.977  -1.335  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        3.543  -0.128  -0.899  0.00  0.00    -0.250 N 
ATOM     23  H   LIG    1        3.032   0.078  -0.052  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        2.802  -0.784  -1.840  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        3.156  -1.149  -2.949  0.00  0.00    -0.226 OA
BRANCH  22  31
ATOM     26  C   LIG    1        6.773   1.370   0.072  0.00  0.00    +0.143 A 
ATOM     27  C   LIG    1        7.517   1.099  -1.082  0.00  0.00    +0.080 A 
ATOM     28  C   LIG    1        8.954   1.524  -1.190  0.00  0.00    +0.069 C 
ATOM     29  N   LIG    1        7.002   0.450  -2.158  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1        5.708   0.056  -2.090  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        4.887   0.275  -0.990  0.00  0.00    +0.058 A 
ATOM     32  C   LIG    1        5.442   0.946   0.105  0.00  0.00    +0.072 A 
BRANCH  26  34
ATOM     33  C   LIG    1        6.671   2.335   2.251  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        7.419   2.032   1.080  0.00  0.00    -0.493 OA
ENDBRANCH  26  34
ENDBRANCH  22  31
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6