REMARK  Name = BDB013146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.373   1.137   0.022  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        1.437   0.863  -1.013  0.00  0.00    +0.174 A 
ATOM      3  N   LIG    1        0.137   0.631  -0.635  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.555   0.457  -1.797  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.269   0.508  -2.819  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.286   0.630   0.698  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.568   0.905   1.646  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.528   0.770  -2.324  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.877   1.156   1.280  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  11
ATOM     10  N   LIG    1        4.629   0.621  -0.828  0.00  0.00    -0.261 N 
ATOM     11  C   LIG    1        3.749   1.452  -0.161  0.00  0.00    +0.074 A 
ATOM     12  C   LIG    1        4.503   2.544   0.233  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1        5.799   2.291  -0.235  0.00  0.00    +0.135 A 
ATOM     14  N   LIG    1        5.889   1.123  -0.866  0.00  0.00    -0.179 NA
BRANCH  10  16
ATOM     15  C   LIG    1        5.266  -1.768  -0.719  0.00  0.00    +0.032 C 
ATOM     16  C   LIG    1        4.403  -0.705  -1.405  0.00  0.00    +0.102 C 
ATOM     17  C   LIG    1        4.633  -0.700  -2.916  0.00  0.00    +0.032 C 
ENDBRANCH  10  16
ENDBRANCH   1  11
BRANCH   6  18
ATOM     18  N   LIG    1       -1.598   0.368   1.028  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.714   0.627   2.010  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.116  -0.992   0.874  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.518  -1.071   1.405  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.573  -0.342   0.863  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.586   0.660  -0.231  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -6.096   0.782  -0.442  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.775   0.360   0.762  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.855  -0.434   1.394  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.151  -1.243   2.472  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.114  -1.995   3.023  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -3.821  -1.906   2.490  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -2.850  -2.641   3.050  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5