REMARK  Name = BDB012300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.771   1.044   0.703  0.00  0.00    -0.218 N 
ATOM      2  C   LIG    1        0.375   0.740   1.435  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        0.718   1.898   2.112  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -0.239   2.843   1.741  0.00  0.00    +0.135 A 
ATOM      5  N   LIG    1       -1.143   2.346   0.902  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -3.440  -0.049  -1.621  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -2.653   0.774  -0.817  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -1.570   0.207  -0.152  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1       -1.266  -1.112  -0.281  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -2.034  -1.875  -1.087  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -3.128  -1.397  -1.776  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -4.519   1.593  -2.951  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -4.586   0.544  -2.337  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -5.711  -0.190  -2.214  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -5.665  -0.905  -1.551  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1        1.089  -0.573   1.459  0.00  0.00    +0.090 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.301  -0.594   0.554  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1        3.564  -0.228   1.046  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        4.681  -0.230   0.209  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.549  -0.592  -1.130  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.300  -0.952  -1.633  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.182  -0.951  -0.796  0.00  0.00    +0.004 A 
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 5