REMARK  Name = BDB011648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.405  -0.934   0.275  0.00  0.00    +0.169 A 
ATOM      2  C   LIG    1        1.683  -0.263  -0.696  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        2.207   0.370  -1.930  0.00  0.00    +0.050 C 
ATOM      4  C   LIG    1        0.332  -0.320  -0.226  0.00  0.00    +0.171 A 
ATOM      5  N   LIG    1        0.261  -1.016   0.923  0.00  0.00    -0.073 NA
ATOM      6  O   LIG    1        1.546  -1.400   1.222  0.00  0.00    -0.356 OA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.780  -0.512   1.937  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        6.562  -1.292   0.880  0.00  0.00    +0.063 C 
ATOM      9  C   LIG    1        5.977  -1.086  -0.531  0.00  0.00    +0.127 C 
ATOM     10  O   LIG    1        4.635  -0.569  -0.452  0.00  0.00    -0.365 OA
ATOM     11  C   LIG    1        3.838  -1.278   0.501  0.00  0.00    +0.190 C 
ATOM     12  C   LIG    1        4.305  -0.914   1.911  0.00  0.00    +0.071 C 
BRANCH   9  13
ATOM     13  C   LIG    1        6.822  -0.163  -1.470  0.00  0.00    -0.011 C 
ATOM     14  C   LIG    1        7.008   1.242  -0.870  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1        6.103  -0.008  -2.827  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1        8.207  -0.783  -1.742  0.00  0.00    +0.013 C 
ENDBRANCH   9  13
BRANCH   7  18
ATOM     17  C   LIG    1        7.436  -0.027   3.583  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1        6.279  -0.783   3.250  0.00  0.00    -0.380 OA
ENDBRANCH   7  18
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -0.887   0.256  -0.821  0.00  0.00    +0.270 C 
ATOM     20  N   LIG    1       -2.026  -0.040  -0.102  0.00  0.00    -0.274 N 
ATOM     21  H   LIG    1       -1.861  -0.498   0.796  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1       -0.851   0.952  -1.830  0.00  0.00    -0.268 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.324   0.313  -0.336  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -4.335   0.139   0.750  0.00  0.00    +0.289 A 
ATOM     25  O   LIG    1       -4.095  -0.414   1.813  0.00  0.00    -0.264 OA
ATOM     26  N   LIG    1       -5.545   0.664   0.290  0.00  0.00    -0.245 N 
ATOM     27  N   LIG    1       -5.373   1.001  -1.086  0.00  0.00    -0.287 N 
ATOM     28  C   LIG    1       -6.049   2.227  -1.516  0.00  0.00    +0.170 C 
ATOM     29  C   LIG    1       -4.014   0.792  -1.385  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1       -3.526   1.016  -2.781  0.00  0.00    +0.067 C 
BRANCH  26  31
ATOM     31  C   LIG    1       -6.812   0.119   0.778  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1       -7.474  -0.859  -0.206  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1       -8.768  -1.436   0.367  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -9.730  -0.336   0.806  0.00  0.00    +0.000 C 
ATOM     35  C   LIG    1       -9.074   0.629   1.790  0.00  0.00    +0.002 C 
ATOM     36  C   LIG    1       -7.784   1.220   1.225  0.00  0.00    +0.027 C 
ENDBRANCH  26  31
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6