REMARK  Name = BDB053703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.347  -0.441   0.847  0.00  0.00    +0.037 A 
ATOM      2  N   LIG    1        1.519  -0.971   0.208  0.00  0.00    -0.340 N 
ATOM      3  C   LIG    1        1.202  -2.240  -0.307  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -0.212  -2.448   0.003  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.836  -3.578  -0.344  0.00  0.00    +0.096 A 
ATOM      6  N   LIG    1       -0.134  -4.551  -1.011  0.00  0.00    -0.328 N 
ATOM      7  H   LIG    1       -0.587  -5.418  -1.275  0.00  0.00    +0.168 HD
ATOM      8  C   LIG    1        1.200  -4.450  -1.339  0.00  0.00    +0.251 A 
ATOM      9  O   LIG    1        1.800  -5.339  -1.932  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        1.893  -3.195  -0.939  0.00  0.00    +0.096 A 
ATOM     11  C   LIG    1       -0.698  -1.293   0.717  0.00  0.00    +0.067 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1       -2.058  -1.103   1.246  0.00  0.00    +0.249 C 
ATOM     13  N   LIG    1       -2.993  -0.533   0.394  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1       -2.789  -0.360  -1.051  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1       -3.673   0.747  -1.653  0.00  0.00    +0.100 C 
ATOM     16  N   LIG    1       -5.094   0.624  -1.284  0.00  0.00    -0.313 NA
ATOM     17  H   LIG    1       -5.444  -0.270  -1.628  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -5.197   0.632   0.187  0.00  0.00    +0.100 C 
ATOM     19  C   LIG    1       -4.384  -0.492   0.849  0.00  0.00    +0.123 C 
ATOM     20  O   LIG    1       -2.306  -1.443   2.401  0.00  0.00    -0.270 OA
ENDBRANCH  11  12
BRANCH   2  21
ATOM     21  C   LIG    1        2.848  -0.338   0.222  0.00  0.00    +0.088 C 
ATOM     22  C   LIG    1        3.822  -1.103   1.128  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1        5.196  -0.436   1.153  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        5.756  -0.240  -0.253  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        4.787   0.530  -1.147  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        3.414  -0.139  -1.193  0.00  0.00    +0.025 C 
ENDBRANCH   2  21
BRANCH   1  27
ATOM     27  C   LIG    1        0.290   0.852   1.623  0.00  0.00    +0.089 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -1.989   2.481   2.779  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -1.408   2.771   1.423  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1       -0.351   2.009   0.873  0.00  0.00    -0.036 A 
ATOM     31  C   LIG    1        0.146   2.365  -0.397  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -0.396   3.428  -1.120  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -1.444   4.163  -0.582  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1       -1.938   3.832   0.675  0.00  0.00    +0.127 A 
ATOM     35  F   LIG    1       -2.949   4.562   1.170  0.00  0.00    -0.205 F 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 4