REMARK  Name = BDB062414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.741   1.031   0.483  0.00  0.00    -0.072 NA
ATOM      2  C   LIG    1       -0.861  -0.226   0.214  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1       -2.057  -1.110   0.330  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -1.665  -2.366  -0.150  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -2.561  -3.417  -0.214  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -3.861  -3.210   0.254  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.248  -1.959   0.759  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.360  -2.348  -0.609  0.00  0.00    -0.312 N 
ATOM      9  H   LIG    1        0.208  -3.171  -0.790  0.00  0.00    +0.152 HD
ATOM     10  C   LIG    1       -3.343  -0.893   0.798  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        0.249  -1.132  -0.328  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        1.557  -0.853  -0.481  0.00  0.00    +0.069 C 
ATOM     13  C   LIG    1        2.439   0.310  -0.265  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        3.726  -0.098  -0.654  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        4.832   0.738  -0.594  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        4.651   2.036  -0.126  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        3.376   2.463   0.271  0.00  0.00    +0.002 A 
ATOM     18 BR   LIG    1        6.548   0.156  -1.125  0.00  0.00    -0.048 Br
ATOM     19  N   LIG    1        3.709  -1.423  -1.083  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        4.518  -1.940  -1.398  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        2.270   1.601   0.203  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        2.446  -1.965  -1.000  0.00  0.00    +0.251 C 
ATOM     23  O   LIG    1        2.130  -3.111  -1.271  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  24
ATOM     24  O   LIG    1       -1.922   1.626   0.941  0.00  0.00    -0.317 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -2.999   3.556   1.699  0.00  0.00    +0.138 C 
ATOM     26  C   LIG    1       -1.708   2.950   1.236  0.00  0.00    +0.333 C 
ATOM     27  O   LIG    1       -0.656   3.573   1.155  0.00  0.00    -0.249 OA
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 2