REMARK  Name = BDB014780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.756  -3.443   0.801  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.280  -3.226   1.014  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.717  -2.077   0.473  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.291  -1.857   0.786  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.706  -0.819  -0.101  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.367  -0.367  -0.257  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.308   0.604  -1.175  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.576   0.788  -1.589  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.449  -0.054  -0.974  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.910  -0.175  -1.174  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.512  -0.902   0.048  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.617  -4.055   1.639  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.657  -0.902   0.454  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.440  -1.676   1.068  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.032  -0.580   0.505  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        2.880  -1.376   1.292  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.255  -1.116   1.384  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        4.829  -0.047   0.688  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        3.987   0.748  -0.099  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        2.612   0.484  -0.189  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        6.267   0.240   0.771  0.00  0.00    +0.092 A 
ATOM     22  N   LIG    1        6.810   1.314   0.171  0.00  0.00    -0.174 NA
ATOM     23  N   LIG    1        8.116   1.249   0.460  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1        8.723   1.977   0.097  0.00  0.00    +0.188 HD
ATOM     25  C   LIG    1        8.453   0.177   1.224  0.00  0.00    +0.105 A 
ATOM     26  C   LIG    1        7.280  -0.501   1.447  0.00  0.00    +0.049 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -1.857   1.760  -2.638  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.217   3.146  -2.176  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -1.337   3.908  -1.215  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -2.717   3.485  -0.790  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5