REMARK  Name = BDB063027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.366   0.274   1.662  0.00  0.00    +0.255 C 
ATOM      2  C   LIG    1        0.689   1.461   2.568  0.00  0.00    +0.062 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.815   0.624   0.225  0.00  0.00    +0.254 C 
ATOM      4  N   LIG    1        2.179   0.588   0.036  0.00  0.00    -0.304 N 
ATOM      5  H   LIG    1        2.807   0.274   0.771  0.00  0.00    +0.149 HD
ATOM      6  O   LIG    1        0.045   0.915  -0.687  0.00  0.00    -0.272 OA
BRANCH   4   7
ATOM      7  C   LIG    1        2.768   0.853  -1.260  0.00  0.00    +0.200 C 
BRANCH   7   8
ATOM      8  C   LIG    1        4.286   0.696  -1.179  0.00  0.00    +0.231 C 
ATOM      9  N   LIG    1        4.945   0.983  -2.354  0.00  0.00    -0.304 N 
ATOM     10  H   LIG    1        4.401   0.956  -3.209  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        4.858   0.343  -0.149  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        6.368   0.699  -2.484  0.00  0.00    +0.224 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.574  -0.721  -2.984  0.00  0.00    +0.322 C 
ATOM     14  O   LIG    1        5.732  -1.436  -3.506  0.00  0.00    -0.249 OA
BRANCH  13  15
ATOM     15  O   LIG    1        7.848  -1.141  -2.854  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1        7.841  -2.056  -3.205  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   7   8
ENDBRANCH   4   7
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  O   LIG    1       -1.024   0.007   1.832  0.00  0.00    -0.479 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.573  -1.068   1.144  0.00  0.00    +0.132 C 
ATOM     19  C   LIG    1       -2.829  -0.974   0.628  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1       -3.574  -2.094   0.027  0.00  0.00    +0.136 A 
ATOM     21  C   LIG    1       -3.126  -2.975  -0.874  0.00  0.00    +0.059 C 
ATOM     22  O   LIG    1       -4.966  -2.152   0.354  0.00  0.00    -0.422 OA
ATOM     23  C   LIG    1       -5.688  -1.040   0.691  0.00  0.00    +0.341 A 
ATOM     24  O   LIG    1       -6.894  -1.075   0.905  0.00  0.00    -0.245 OA
ATOM     25  C   LIG    1       -4.937   0.213   0.761  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1       -5.561   1.554   0.891  0.00  0.00    +0.043 C 
ATOM     27  C   LIG    1       -4.383   2.475   0.565  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -3.114   1.664   0.854  0.00  0.00    +0.037 C 
ATOM     29  C   LIG    1       -3.601   0.254   0.746  0.00  0.00    -0.023 A 
BRANCH  18  31
ATOM     30  C   LIG    1        0.044  -2.737   0.284  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -0.800  -2.298   1.227  0.00  0.00    +0.039 C 
ENDBRANCH  18  31
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9