REMARK  Name = BDB056857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.284  -1.433   1.022  0.00  0.00    -0.075 C 
ATOM      2  C   LIG    1        2.861  -0.381   1.638  0.00  0.00    -0.009 C 
ATOM      3  C   LIG    1        3.031  -2.624   0.483  0.00  0.00    +0.039 C 
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        0.775  -1.485   0.854  0.00  0.00    +0.034 C 
BRANCH   4   5
ATOM      5  C   LIG    1        0.328  -1.184  -0.581  0.00  0.00    +0.031 C 
BRANCH   5   7
ATOM      6  C   LIG    1       -2.014  -0.160  -0.778  0.00  0.00    -0.076 C 
ATOM      7  C   LIG    1       -1.171  -1.210  -0.706  0.00  0.00    -0.028 C 
ATOM      8  C   LIG    1       -1.593   1.285  -0.722  0.00  0.00    +0.039 C 
BRANCH   6   9
ATOM      9  C   LIG    1       -3.505  -0.390  -0.950  0.00  0.00    +0.034 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.288  -0.188   0.353  0.00  0.00    +0.031 C 
BRANCH  10  13
ATOM     11  C   LIG    1       -8.184  -0.066  -0.102  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -6.761   0.405   0.046  0.00  0.00    -0.080 C 
ATOM     13  C   LIG    1       -5.753  -0.481   0.164  0.00  0.00    -0.028 C 
ATOM     14  C   LIG    1       -6.600   1.900   0.035  0.00  0.00    +0.038 C 
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   7
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   2  15
ATOM     15  C   LIG    1        4.312  -0.173   1.939  0.00  0.00    +0.131 C 
BRANCH  15  16
ATOM     16  N   LIG    1        4.862   0.636   0.881  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1        4.488   0.491  -0.047  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        6.131   1.162   1.005  0.00  0.00    +0.224 C 
ATOM     19  O   LIG    1        6.788   1.087   2.039  0.00  0.00    -0.275 OA
BRANCH  18  20
ATOM     20  C   LIG    1        6.623   1.883  -0.221  0.00  0.00    +0.216 C 
BRANCH  20  21
ATOM     21  C   LIG    1        8.047   1.580  -0.548  0.00  0.00    +0.314 C 
ATOM     22  O   LIG    1        8.935   2.399  -0.725  0.00  0.00    -0.250 OA
BRANCH  21  23
ATOM     23  O   LIG    1        8.284   0.267  -0.738  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1        9.246   0.224  -0.923  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 11