REMARK  Name = BDB011631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.183  -0.724  -1.319  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.831  -0.812  -0.095  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.247  -1.051   0.693  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.717  -0.911  -2.406  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.186  -0.855   0.076  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.214  -0.240  -0.821  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.985   0.557  -1.717  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.472  -0.619  -0.318  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -4.261  -1.216   0.967  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -5.178  -2.299   1.319  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.875  -1.357   1.116  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.303  -2.034   2.321  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.630   0.248  -0.557  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -5.970   1.156   0.636  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -7.152   2.071   0.321  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -8.367   1.280  -0.155  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -8.029   0.392  -1.349  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -6.855  -0.538  -1.046  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        1.331   1.493   0.530  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        1.932   0.461  -0.347  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        3.270   0.214  -0.576  0.00  0.00    +0.144 A 
ATOM     22  O   LIG    1        3.392  -0.799  -1.474  0.00  0.00    -0.358 OA
ATOM     23  N   LIG    1        2.145  -1.240  -1.855  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        1.260  -0.493  -1.177  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.544   0.811  -0.068  0.00  0.00    +0.058 C 
ATOM     26  C   LIG    1        5.414   1.369  -1.212  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1        6.527   0.402  -1.615  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1        7.497   0.095  -0.444  0.00  0.00    -0.035 C 
ATOM     29  C   LIG    1        8.089  -1.312  -0.653  0.00  0.00    +0.011 C 
ATOM     30  C   LIG    1        8.660   1.105  -0.445  0.00  0.00    +0.011 C 
ATOM     31  C   LIG    1        6.777   0.166   0.927  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1        5.299  -0.196   0.819  0.00  0.00    +0.012 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4